3,4-dichloro-N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Chemical Structure Depiction of
3,4-dichloro-N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
3,4-dichloro-N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | V010-0233 |
| Compound Name: | 3,4-dichloro-N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide |
| Molecular Weight: | 515.44 |
| Molecular Formula: | C25 H21 Cl2 F N4 O S |
| Salt: | not_available |
| Smiles: | CC(c1nnc(n1c1ccc(C)cc1)SCc1ccc(cc1)F)NC(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0001 |
| logD: | 5.9992 |
| logSw: | -6.2672 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.561 |
| InChI Key: | RGFHHNWWGVFALH-INIZCTEOSA-N |