2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
Compound characteristics
| Compound ID: | D419-0455 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide |
| Molecular Weight: | 421.91 |
| Molecular Formula: | C21 H16 Cl N5 O S |
| Smiles: | C(C(Nc1ccccn1)=O)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2288 |
| logD: | 4.2287 |
| logSw: | -4.528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.477 |
| InChI Key: | KJNWFQMRYQMRKB-UHFFFAOYSA-N |