2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V006-5911 |
| Compound Name: | 2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 421.91 |
| Molecular Formula: | C21 H16 Cl N5 O S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1C(N)=O)Sc1nnc(c2cccnc2)n1c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2621 |
| logD: | 3.2579 |
| logSw: | -3.849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.289 |
| InChI Key: | KIQXTHGHFIJHSW-UHFFFAOYSA-N |