3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide (XLD) Summary
- Home
- 3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide (XLD) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C.1-N.2-C.3-C.43-2-1-0 C.4-N.3-C.2-C.1 | 0.181 | Rigid Ring |
| 2 | C.1-C.7-C.6-C.43-5-6-0 C.4-C.6-C.7-C.1 | 0.801 | Rigid Ring |
| 3 | C.1-N.8-C.9-O.109-8-7-0 C.10-N.9-C.8-O.1 | 11.664 | Rigid |
| 4 | C.1-N.8-C.9-C.1110-8-7-0 C.11-N.9-C.8-C.1 | -173.311 | Rigid |
| 5 | N.2-C.1-C.7-C.65-6-0-1 N.6-C.7-C.1-C.2 | -0.862 | Rigid Ring |
| 6 | N.2-C.1-N.8-C.98-7-0-1 N.9-C.8-N.1-C.2 | 13.054 | Flexible |
| 7 | N.2-C.3-C.4-Cl.54-3-2-1 N.5-C.4-C.3-Cl.2 | 179.931 | Rigid |
| 8 | N.2-C.3-C.4-C.65-3-2-1 N.6-C.4-C.3-C.2 | -0.217 | Rigid Ring |
| 9 | C.3-C.4-C.6-C.76-5-3-2 C.7-C.6-C.4-C.3 | -0.285 | Rigid Ring |
| 10 | Cl.5-C.4-C.6-C.76-5-3-4 Cl.7-C.6-C.4-C.5 | 179.567 | Rigid |
| 11 | C.7-C.1-N.2-C.32-1-0-6 C.3-C.2-N.1-C.7 | 0.369 | Rigid Ring |
| 12 | C.7-C.1-N.8-C.98-7-0-6 C.9-C.8-N.1-C.7 | -169.193 | Flexible |
| 13 | N.8-C.1-N.2-C.32-1-0-7 N.3-C.2-N.1-C.8 | 178.021 | Rigid |
| 14 | N.8-C.1-C.7-C.65-6-0-7 N.6-C.7-C.1-C.8 | -178.581 | Rigid |
| 15 | N.8-C.9-C.11-C.1211-10-8-7 N.12-C.11-C.9-C.8 | -132.65 | Flexible |
| 16 | N.8-C.9-C.11-C.1716-10-8-7 N.17-C.11-C.9-C.8 | 45.446 | Flexible |
| 17 | C.9-C.11-C.12-C.1312-11-10-8 C.13-C.12-C.11-C.9 | -178.989 | Rigid |
| 18 | C.9-C.11-C.12-N.2019-11-10-8 C.20-C.12-C.11-N.9 | 1.437 | Rigid |
| 19 | C.9-C.11-C.17-C.1514-16-10-8 C.15-C.17-C.11-C.9 | -178.267 | Rigid |
| 20 | O.10-C.9-C.11-C.1211-10-8-9 O.12-C.11-C.9-C.10 | 42.902 | Flexible |
| 21 | O.10-C.9-C.11-C.1716-10-8-9 O.17-C.11-C.9-C.10 | -139.002 | Flexible |
| 22 | C.11-C.12-C.13-C.1413-12-11-10 C.14-C.13-C.12-C.11 | -3.727 | Rigid Ring |
| 23 | C.11-C.12-C.13-O.1817-12-11-10 C.18-C.13-C.12-O.11 | 171.552 | Rigid |
| 24 | C.11-C.12-N.20-C.2120-19-11-10 C.21-C.20-N.12-C.11 | 128.301 | Flexible |
| 25 | C.11-C.17-C.15-C.1413-14-16-10 C.14-C.15-C.17-C.11 | -1.818 | Rigid Ring |
| 26 | C.11-C.17-C.15-Cl.1615-14-16-10 C.16-C.15-C.17-Cl.11 | 179.012 | Rigid |
| 27 | C.12-C.11-C.17-C.1514-16-10-11 C.15-C.17-C.11-C.12 | -0.175 | Rigid Ring |
| 28 | C.12-C.13-C.14-C.1514-13-12-11 C.15-C.14-C.13-C.12 | 1.79 | Rigid Ring |
| 29 | C.12-C.13-O.18-C.1918-17-12-11 C.19-C.18-O.13-C.12 | 170.492 | Flexible |
| 30 | C.12-N.20-C.21-O.2221-20-19-11 C.22-N.21-C.20-O.12 | -4.564 | Rigid |
| 31 | C.12-N.20-C.21-C.2322-20-19-11 C.23-N.21-C.20-C.12 | -179.508 | Rigid |
| 32 | C.13-C.12-C.11-C.1716-10-11-12 C.17-C.11-C.12-C.13 | 2.933 | Rigid Ring |
| 33 | C.13-C.12-N.20-C.2120-19-11-12 C.21-C.20-N.12-C.13 | -51.265 | Flexible |
| 34 | C.13-C.14-C.15-Cl.1615-14-13-12 C.16-C.15-C.14-Cl.13 | -179.826 | Rigid |
| 35 | C.13-C.14-C.15-C.1716-14-13-12 C.17-C.15-C.14-C.13 | 1.006 | Rigid Ring |
| 36 | C.14-C.13-C.12-N.2019-11-12-13 C.20-C.12-C.13-N.14 | 175.838 | Rigid |
| 37 | C.14-C.13-O.18-C.1918-17-12-13 C.19-C.18-O.13-C.14 | -14.442 | Flexible |
| 38 | C.15-C.14-C.13-O.1817-12-13-14 C.18-C.13-C.14-O.15 | -173.127 | Rigid |
| 39 | C.17-C.11-C.12-N.2019-11-10-16 C.20-C.12-C.11-N.17 | -176.64 | Rigid |
| 40 | O.18-C.13-C.12-N.2019-11-12-17 O.20-C.12-C.13-N.18 | -8.882 | Rigid |
| 41 | N.20-C.21-C.23-S.2423-22-20-19 N.24-C.23-C.21-S.20 | 165.302 | Rigid |
| 42 | N.20-C.21-C.23-C.2726-22-20-19 N.27-C.23-C.21-C.20 | -15.623 | Rigid |
| 43 | C.21-C.23-S.24-C.2524-23-22-20 C.25-C.24-S.23-C.21 | 178.522 | Rigid |
| 44 | C.21-C.23-C.27-C.2625-26-22-20 C.26-C.27-C.23-C.21 | -177.718 | Rigid |
| 45 | C.21-C.23-C.27-Cl.2827-26-22-20 C.28-C.27-C.23-Cl.21 | 0.981 | Rigid |
| 46 | O.22-C.21-C.23-S.2423-22-20-21 O.24-C.23-C.21-S.22 | -9.599 | Rigid |
| 47 | O.22-C.21-C.23-C.2726-22-20-21 O.27-C.23-C.21-C.22 | 169.475 | Rigid |
| 48 | C.23-S.24-C.25-C.2625-24-23-22 C.26-S.25-C.24-C.23 | -0.108 | Rigid Ring |
| 49 | C.23-C.27-C.26-C.2524-25-26-22 C.25-C.26-C.27-C.23 | -1.482 | Rigid Ring |
| 50 | C.23-C.27-C.26-C.2928-25-26-22 C.29-C.26-C.27-C.23 | 177.03 | Rigid |
| 51 | S.24-C.23-C.27-C.2625-26-22-23 S.26-C.27-C.23-C.24 | 1.4 | Rigid Ring |
| 52 | S.24-C.23-C.27-Cl.2827-26-22-23 S.28-C.27-C.23-Cl.24 | -179.902 | Rigid |
| 53 | S.24-C.25-C.26-C.2726-25-24-23 S.27-C.26-C.25-C.24 | 0.899 | Rigid Ring |
| 54 | S.24-C.25-C.26-C.2928-25-24-23 S.29-C.26-C.25-C.24 | -177.623 | Rigid |
| 55 | C.25-S.24-C.23-C.2726-22-23-24 C.27-S.23-C.24-C.25 | -0.75 | Rigid Ring |
| 56 | C.25-C.26-C.27-Cl.2827-26-25-24 C.28-C.27-C.26-Cl.25 | 179.748 | Rigid |
| 57 | C.25-C.26-C.29-N.3029-28-25-24 C.30-C.29-C.26-N.25 | 7.602 | Flexible |
| 58 | C.26-C.29-N.30-C.3130-29-28-25 C.31-C.30-N.29-C.26 | -88.661 | Flexible |
| 59 | C.26-C.29-N.30-C.3231-29-28-25 C.32-C.30-N.29-C.26 | 69.321 | Flexible |
| 60 | C.27-C.26-C.29-N.3029-28-25-26 C.30-C.29-C.26-N.27 | -170.704 | Flexible |
| 61 | Cl.28-C.27-C.26-C.2928-25-26-27 Cl.29-C.26-C.27-C.28 | -1.74 | Rigid |
| 62 | C.29-N.30-C.32-N.3332-31-29-28 C.33-N.32-C.30-N.29 | 18.704 | Flexible |
| 63 | C.29-N.30-C.32-O.3635-31-29-28 C.36-N.32-C.30-O.29 | -159.588 | Flexible |
| 64 | N.30-C.32-N.33-C.3433-32-31-29 N.34-C.33-N.32-C.30 | -175.056 | Rigid |
| 65 | N.30-C.32-O.36-C.3534-35-31-29 N.35-C.36-O.32-C.30 | -176.66 | Rigid |
| 66 | C.31-N.30-C.32-N.3332-31-29-30 C.33-N.32-C.30-N.31 | 175.521 | Flexible |
| 67 | C.31-N.30-C.32-O.3635-31-29-30 C.36-N.32-C.30-O.31 | -2.77 | Flexible |
| 68 | C.32-N.33-C.34-C.3534-33-32-31 C.35-N.34-C.33-C.32 | -9.389 | Rigid Ring |
| 69 | C.32-O.36-C.35-C.3433-34-35-31 C.34-O.35-C.36-C.32 | -10.281 | Flexible Ring |
| 70 | N.33-C.32-O.36-C.3534-35-31-32 N.35-C.36-O.32-C.33 | 4.893 | Rigid Ring |
| 71 | N.33-C.34-C.35-O.3635-34-33-32 N.36-C.35-C.34-O.33 | 12.182 | Flexible Ring |
| 72 | C.34-N.33-C.32-O.3635-31-32-33 C.36-N.32-C.33-O.34 | 3.187 | Rigid Ring |
Dihedrals Histogram