4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V024-8248 |
| Compound Name: | 4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 593.07 |
| Molecular Formula: | C31 H24 Cl F3 N4 O S |
| Salt: | not_available |
| Smiles: | C(c1cccc(c1)C(F)(F)F)NC(c1ccc(CSc2nnc(c3ccccc3[Cl])n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8453 |
| logD: | 6.8453 |
| logSw: | -6.3866 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.382 |
| InChI Key: | XNOCFPGRZZKESI-UHFFFAOYSA-N |