2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | K822-0267 |
| Compound Name: | 2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C22 H18 Cl N5 O S |
| Smiles: | C(c1ccccc1)n1c(c2cccnc2)nnc1SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5637 |
| logD: | 3.534 |
| logSw: | -3.7141 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.939 |
| InChI Key: | ZHCMLMMMHDUQAK-UHFFFAOYSA-N |