2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
Compound characteristics
| Compound ID: | D419-0125 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C22 H19 N5 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(Nc1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9795 |
| logD: | 3.9794 |
| logSw: | -4.1371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.021 |
| InChI Key: | GBAINOPYUMFZFE-UHFFFAOYSA-N |