2-{[4-(4-chloro-3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[4-(4-chloro-3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[4-(4-chloro-3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | K822-0257 |
| Compound Name: | 2-{[4-(4-chloro-3-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C22 H18 Cl N5 O S |
| Smiles: | Cc1cc(ccc1[Cl])n1c(c2cccnc2)nnc1SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.46 |
| logD: | 4.4558 |
| logSw: | -4.5781 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.38 |
| InChI Key: | JZCUOOVXMCFWNN-UHFFFAOYSA-N |