2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
Compound characteristics
| Compound ID: | D419-0129 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C22 H19 N5 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(Nc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5719 |
| logD: | 3.5713 |
| logSw: | -3.5648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.924 |
| InChI Key: | NIYBGCMGJQIVFH-UHFFFAOYSA-N |