3-chloro-n-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide (XLC) Summary
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- 3-chloro-n-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide (XLC) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C.1-C.2-C.3-C.43-2-1-0 C.4-C.3-C.2-C.1 | -0.685 | Rigid Ring |
| 2 | C.1-C.7-C.6-C.43-5-6-0 C.4-C.6-C.7-C.1 | 0.522 | Rigid Ring |
| 3 | C.1-N.8-C.9-O.109-8-7-0 C.10-N.9-C.8-O.1 | 0.113 | Rigid |
| 4 | C.1-N.8-C.9-C.1110-8-7-0 C.11-N.9-C.8-C.1 | -179.458 | Rigid |
| 5 | C.2-C.1-C.7-C.65-6-0-1 C.6-C.7-C.1-C.2 | -0.972 | Rigid Ring |
| 6 | C.2-C.1-N.8-C.98-7-0-1 C.9-C.8-N.1-C.2 | 33.349 | Flexible |
| 7 | C.2-C.3-C.4-Cl.54-3-2-1 C.5-C.4-C.3-Cl.2 | 179.69 | Rigid |
| 8 | C.2-C.3-C.4-C.65-3-2-1 C.6-C.4-C.3-C.2 | 0.222 | Rigid Ring |
| 9 | C.3-C.4-C.6-C.76-5-3-2 C.7-C.6-C.4-C.3 | -0.138 | Rigid Ring |
| 10 | Cl.5-C.4-C.6-C.76-5-3-4 Cl.7-C.6-C.4-C.5 | -179.596 | Rigid |
| 11 | C.7-C.1-C.2-C.32-1-0-6 C.3-C.2-C.1-C.7 | 1.053 | Rigid Ring |
| 12 | C.7-C.1-N.8-C.98-7-0-6 C.9-C.8-N.1-C.7 | -146.11 | Flexible |
| 13 | N.8-C.1-C.2-C.32-1-0-7 N.3-C.2-C.1-C.8 | -178.397 | Rigid |
| 14 | N.8-C.1-C.7-C.65-6-0-7 N.6-C.7-C.1-C.8 | 178.511 | Rigid |
| 15 | N.8-C.9-C.11-C.1211-10-8-7 N.12-C.11-C.9-C.8 | -141.868 | Flexible |
| 16 | N.8-C.9-C.11-C.1716-10-8-7 N.17-C.11-C.9-C.8 | 37.206 | Flexible |
| 17 | C.9-C.11-C.12-C.1312-11-10-8 C.13-C.12-C.11-C.9 | 178.923 | Rigid |
| 18 | C.9-C.11-C.12-N.1817-11-10-8 C.18-C.12-C.11-N.9 | -0.287 | Rigid |
| 19 | C.9-C.11-C.17-C.1514-16-10-8 C.15-C.17-C.11-C.9 | -178.894 | Rigid |
| 20 | O.10-C.9-C.11-C.1211-10-8-9 O.12-C.11-C.9-C.10 | 38.56 | Flexible |
| 21 | O.10-C.9-C.11-C.1716-10-8-9 O.17-C.11-C.9-C.10 | -142.367 | Flexible |
| 22 | C.11-C.12-C.13-C.1413-12-11-10 C.14-C.13-C.12-C.11 | -0.057 | Rigid Ring |
| 23 | C.11-C.12-N.18-C.1918-17-11-10 C.19-C.18-N.12-C.11 | 124.205 | Flexible |
| 24 | C.11-C.17-C.15-C.1413-14-16-10 C.14-C.15-C.17-C.11 | -0.131 | Rigid Ring |
| 25 | C.11-C.17-C.15-Cl.1615-14-16-10 C.16-C.15-C.17-Cl.11 | 179.607 | Rigid |
| 26 | C.12-C.11-C.17-C.1514-16-10-11 C.15-C.17-C.11-C.12 | 0.23 | Rigid Ring |
| 27 | C.12-C.13-C.14-C.1514-13-12-11 C.15-C.14-C.13-C.12 | 0.158 | Rigid Ring |
| 28 | C.12-N.18-C.19-O.2019-18-17-11 C.20-N.19-C.18-O.12 | -1.748 | Rigid |
| 29 | C.12-N.18-C.19-C.2120-18-17-11 C.21-N.19-C.18-C.12 | -176.368 | Rigid |
| 30 | C.13-C.12-C.11-C.1716-10-11-12 C.17-C.11-C.12-C.13 | -0.134 | Rigid Ring |
| 31 | C.13-C.12-N.18-C.1918-17-11-12 C.19-C.18-N.12-C.13 | -54.993 | Flexible |
| 32 | C.13-C.14-C.15-Cl.1615-14-13-12 C.16-C.15-C.14-Cl.13 | -179.801 | Rigid |
| 33 | C.13-C.14-C.15-C.1716-14-13-12 C.17-C.15-C.14-C.13 | -0.065 | Rigid Ring |
| 34 | C.14-C.13-C.12-N.1817-11-12-13 C.18-C.12-C.13-N.14 | 179.162 | Rigid |
| 35 | C.17-C.11-C.12-N.1817-11-10-16 C.18-C.12-C.11-N.17 | -179.344 | Rigid |
| 36 | N.18-C.19-C.21-S.2221-20-18-17 N.22-C.21-C.19-S.18 | 163.985 | Rigid |
| 37 | N.18-C.19-C.21-C.2524-20-18-17 N.25-C.21-C.19-C.18 | -13.718 | Rigid |
| 38 | C.19-C.21-S.22-C.2322-21-20-18 C.23-C.22-S.21-C.19 | -177.475 | Rigid |
| 39 | C.19-C.21-C.25-C.2423-24-20-18 C.24-C.25-C.21-C.19 | 176.789 | Rigid |
| 40 | C.19-C.21-C.25-Cl.2625-24-20-18 C.26-C.25-C.21-Cl.19 | -2.165 | Rigid |
| 41 | O.20-C.19-C.21-S.2221-20-18-19 O.22-C.21-C.19-S.20 | -10.574 | Rigid |
| 42 | O.20-C.19-C.21-C.2524-20-18-19 O.25-C.21-C.19-C.20 | 171.723 | Rigid |
| 43 | C.21-S.22-C.23-C.2423-22-21-20 C.24-S.23-C.22-C.21 | -0.155 | Rigid Ring |
| 44 | C.21-C.25-C.24-C.2322-23-24-20 C.23-C.24-C.25-C.21 | 0.941 | Rigid Ring |
| 45 | C.21-C.25-C.24-C.2726-23-24-20 C.27-C.24-C.25-C.21 | -178.032 | Rigid |
| 46 | S.22-C.21-C.25-C.2423-24-20-21 S.24-C.25-C.21-C.22 | -1.053 | Rigid Ring |
| 47 | S.22-C.21-C.25-Cl.2625-24-20-21 S.26-C.25-C.21-Cl.22 | 179.993 | Rigid |
| 48 | S.22-C.23-C.24-C.2524-23-22-21 S.25-C.24-C.23-C.22 | -0.415 | Rigid Ring |
| 49 | S.22-C.23-C.24-C.2726-23-22-21 S.27-C.24-C.23-C.22 | 178.643 | Rigid |
| 50 | C.23-S.22-C.21-C.2524-20-21-22 C.25-S.21-C.22-C.23 | 0.676 | Rigid Ring |
| 51 | C.23-C.24-C.25-Cl.2625-24-23-22 C.26-C.25-C.24-Cl.23 | 179.95 | Rigid |
| 52 | C.23-C.24-C.27-N.2827-26-23-22 C.28-C.27-C.24-N.23 | 83.357 | Flexible |
| 53 | C.24-C.27-N.28-C.2928-27-26-23 C.29-C.28-N.27-C.24 | -51.609 | Flexible |
| 54 | C.24-C.27-N.28-C.3332-27-26-23 C.33-C.28-N.27-C.24 | 80.067 | Flexible |
| 55 | C.25-C.24-C.27-N.2827-26-23-24 C.28-C.27-C.24-N.25 | -97.767 | Flexible |
| 56 | Cl.26-C.25-C.24-C.2726-23-24-25 Cl.27-C.24-C.25-C.26 | 0.978 | Rigid |
| 57 | C.27-N.28-C.29-C.3029-28-27-26 C.30-N.29-C.28-C.27 | -169.429 | Rigid |
| 58 | C.27-N.28-C.33-C.3231-32-27-26 C.32-N.33-C.28-C.27 | 165.411 | Rigid |
| 59 | N.28-C.29-C.30-N.3130-29-28-27 N.31-C.30-C.29-N.28 | -52.889 | Rigid Ring |
| 60 | N.28-C.33-C.32-N.3130-31-32-27 N.31-C.32-C.33-N.28 | 56.719 | Rigid Ring |
| 61 | C.29-N.28-C.33-C.3231-32-27-28 C.32-N.33-C.28-C.29 | -60.038 | Rigid Ring |
| 62 | C.29-C.30-N.31-C.3231-30-29-28 C.32-C.31-N.30-C.29 | 52.107 | Rigid Ring |
| 63 | C.29-C.30-N.31-C.3433-30-29-28 C.34-C.31-N.30-C.29 | -179.987 | Rigid |
| 64 | C.30-C.29-N.28-C.3332-27-28-29 C.33-C.28-N.29-C.30 | 58.083 | Rigid Ring |
| 65 | C.30-N.31-C.32-C.3332-31-30-29 C.33-N.32-C.31-C.30 | -53.784 | Rigid Ring |
| 66 | C.33-C.32-N.31-C.3433-30-31-32 C.34-C.31-N.32-C.33 | 178.145 | Rigid |
Dihedrals Histogram