3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole (34M) Summary
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- 3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole (34M) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | S1.1-C2.2-C5.3-N6.43-2-1-0 S1.4-C2.3-C5.2-N6.1 | 0.092 | Flexible |
| 2 | S1.1-C2.2-C5.3-O9.76-2-1-0 S1.7-C2.3-C5.2-O9.1 | 178.103 | Flexible |
| 3 | S1.1-C25.16-N26.17-C27.1817-16-15-0 S1.18-C25.17-N26.16-C27.1 | 178.459 | Rigid |
| 4 | S1.1-C25.16-N26.17-C34.2221-16-15-0 S1.22-C25.17-N26.16-C34.1 | -3.533 | Flexible |
| 5 | S1.1-C25.16-N29.20-N28.1918-19-15-0 S1.19-C25.20-N29.16-N28.1 | -177.997 | Rigid |
| 6 | C2.2-S1.1-C25.16-N26.1716-15-0-1 C2.17-S1.16-C25.1-N26.2 | -172.83 | Flexible |
| 7 | C2.2-S1.1-C25.16-N29.2019-15-0-1 C2.20-S1.16-C25.1-N29.2 | 1.87 | Flexible |
| 8 | C2.2-C5.3-N6.4-C7.54-3-2-1 C2.5-C5.4-N6.3-C7.2 | -178.326 | Rigid |
| 9 | C2.2-C5.3-O9.7-N8.65-6-2-1 C2.6-C5.7-O9.3-N8.2 | 179.757 | Rigid |
| 10 | C5.3-N6.4-C7.5-N8.65-4-3-2 C5.6-N6.5-C7.4-N8.3 | -4.046 | Rigid Ring |
| 11 | C5.3-N6.4-C7.5-C10.87-4-3-2 C5.8-N6.5-C7.4-C10.3 | -176.185 | Rigid |
| 12 | C5.3-O9.7-N8.6-C7.54-5-6-2 C5.5-O9.6-N8.7-C7.3 | -0.71 | Rigid Ring |
| 13 | N6.4-C5.3-O9.7-N8.65-6-2-3 N6.6-C5.7-O9.3-N8.4 | -1.815 | Rigid Ring |
| 14 | N6.4-C7.5-N8.6-O9.76-5-4-3 N6.7-C7.6-N8.5-O9.4 | 2.666 | Rigid Ring |
| 15 | N6.4-C7.5-C10.8-C11.98-7-4-3 N6.9-C7.8-C10.5-C11.4 | -178.83 | Flexible |
| 16 | N6.4-C7.5-C10.8-C18.1312-7-4-3 N6.13-C7.8-C10.5-C18.4 | 9.234 | Flexible |
| 17 | C7.5-N6.4-C5.3-O9.76-2-3-4 C7.7-N6.3-C5.4-O9.5 | 3.453 | Rigid Ring |
| 18 | C7.5-C10.8-C11.9-C13.109-8-7-4 C7.10-C10.9-C11.8-C13.5 | -176.741 | Rigid |
| 19 | C7.5-C10.8-C18.13-C16.1211-12-7-4 C7.12-C10.13-C18.8-C16.5 | 176.822 | Rigid |
| 20 | N8.6-C7.5-C10.8-C11.98-7-4-5 N8.9-C7.8-C10.5-C11.6 | 10.415 | Flexible |
| 21 | N8.6-C7.5-C10.8-C18.1312-7-4-5 N8.13-C7.8-C10.5-C18.6 | -161.521 | Flexible |
| 22 | O9.7-N8.6-C7.5-C10.87-4-5-6 O9.8-N8.5-C7.6-C10.7 | 174.727 | Rigid |
| 23 | C10.8-C11.9-C13.10-C15.1110-9-8-7 C10.11-C11.10-C13.9-C15.8 | 3.384 | Rigid Ring |
| 24 | C10.8-C18.13-C16.12-C15.1110-11-12-7 C10.11-C18.12-C16.13-C15.8 | -3.515 | Rigid Ring |
| 25 | C11.9-C10.8-C18.13-C16.1211-12-7-8 C11.12-C10.13-C18.8-C16.9 | 5.038 | Rigid Ring |
| 26 | C11.9-C13.10-C15.11-C16.1211-10-9-8 C11.12-C13.11-C15.10-C16.9 | -1.917 | Rigid Ring |
| 27 | C11.9-C13.10-C15.11-O20.1413-10-9-8 C11.14-C13.11-C15.10-O20.9 | -179.651 | Rigid |
| 28 | C13.10-C11.9-C10.8-C18.1312-7-8-9 C13.13-C11.8-C10.9-C18.10 | -4.993 | Rigid Ring |
| 29 | C13.10-C15.11-C16.12-C18.1312-11-10-9 C13.13-C15.12-C16.11-C18.10 | 2.008 | Rigid Ring |
| 30 | C13.10-C15.11-O20.14-C21.1514-13-10-9 C13.15-C15.14-O20.11-C21.10 | -174.174 | Flexible |
| 31 | C16.12-C15.11-O20.14-C21.1514-13-10-11 C16.15-C15.14-O20.11-C21.12 | 8.181 | Flexible |
| 32 | C18.13-C16.12-C15.11-O20.1413-10-11-12 C18.14-C16.11-C15.12-O20.13 | 179.609 | Rigid |
| 33 | C25.16-S1.1-C2.2-C5.32-1-0-15 C25.3-S1.2-C2.1-C5.16 | 179.301 | Flexible |
| 34 | C25.16-N26.17-C27.18-N28.1918-17-16-15 C25.19-N26.18-C27.17-N28.16 | -2.513 | Rigid Ring |
| 35 | C25.16-N26.17-C27.18-C30.2120-17-16-15 C25.21-N26.18-C27.17-C30.16 | 178.413 | Rigid |
| 36 | C25.16-N26.17-C34.22-C35.2322-21-16-15 C25.23-N26.22-C34.17-C35.16 | 115.002 | Flexible |
| 37 | C25.16-N26.17-C34.22-C42.2726-21-16-15 C25.27-N26.22-C34.17-C42.16 | -64.896 | Flexible |
| 38 | C25.16-N29.20-N28.19-C27.1817-18-19-15 C25.18-N29.19-N28.20-C27.16 | 1.075 | Rigid Ring |
| 39 | N26.17-C25.16-N29.20-N28.1918-19-15-16 N26.19-C25.20-N29.16-N28.17 | -2.708 | Rigid Ring |
| 40 | N26.17-C27.18-N28.19-N29.2019-18-17-16 N26.20-C27.19-N28.18-N29.17 | 0.948 | Rigid Ring |
| 41 | N26.17-C34.22-C35.23-C37.2423-22-21-16 N26.24-C34.23-C35.22-C37.17 | -178.829 | Rigid |
| 42 | N26.17-C34.22-C42.27-C40.2625-26-21-16 N26.26-C34.27-C42.22-C40.17 | 177.608 | Rigid |
| 43 | C27.18-N26.17-C25.16-N29.2019-15-16-17 C27.20-N26.16-C25.17-N29.18 | 3.244 | Rigid Ring |
| 44 | C27.18-N26.17-C34.22-C35.2322-21-16-17 C27.23-N26.22-C34.17-C35.18 | -67.459 | Flexible |
| 45 | C27.18-N26.17-C34.22-C42.2726-21-16-17 C27.27-N26.22-C34.17-C42.18 | 112.643 | Flexible |
| 46 | N28.19-C27.18-N26.17-C34.2221-16-17-18 N28.22-C27.17-N26.18-C34.19 | 179.512 | Flexible |
| 47 | N29.20-C25.16-N26.17-C34.2221-16-15-19 N29.22-C25.17-N26.16-C34.20 | -178.748 | Flexible |
| 48 | N29.20-N28.19-C27.18-C30.2120-17-18-19 N29.21-N28.18-C27.19-C30.20 | -179.901 | Rigid |
| 49 | C30.21-C27.18-N26.17-C34.2221-16-17-20 C30.22-C27.17-N26.18-C34.21 | 0.438 | Flexible |
| 50 | C34.22-C35.23-C37.24-C39.2524-23-22-21 C34.25-C35.24-C37.23-C39.22 | -0.376 | Rigid Ring |
| 51 | C34.22-C42.27-C40.26-C39.2524-25-26-21 C34.25-C42.26-C40.27-C39.22 | 2.808 | Rigid Ring |
| 52 | C35.23-C34.22-C42.27-C40.2625-26-21-22 C35.26-C34.27-C42.22-C40.23 | -2.292 | Rigid Ring |
| 53 | C35.23-C37.24-C39.25-C40.2625-24-23-22 C35.26-C37.25-C39.24-C40.23 | 0.878 | Rigid Ring |
| 54 | C35.23-C37.24-C39.25-O44.2827-24-23-22 C35.28-C37.25-C39.24-O44.23 | 177.138 | Rigid |
| 55 | C37.24-C35.23-C34.22-C42.2726-21-22-23 C37.27-C35.22-C34.23-C42.24 | 1.069 | Rigid Ring |
| 56 | C37.24-C39.25-C40.26-C42.2726-25-24-23 C37.27-C39.26-C40.25-C42.24 | -2.089 | Rigid Ring |
| 57 | C37.24-C39.25-O44.28-C45.2928-27-24-23 C37.29-C39.28-O44.25-C45.24 | -167.547 | Flexible |
| 58 | C40.26-C39.25-O44.28-C45.2928-27-24-25 C40.29-C39.28-O44.25-C45.26 | 8.568 | Flexible |
| 59 | C42.27-C40.26-C39.25-O44.2827-24-25-26 C42.28-C40.25-C39.26-O44.27 | -178.125 | Rigid |
Dihedrals Histogram