4-({[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
4-({[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
4-({[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V024-9197 |
| Compound Name: | 4-({[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 569 |
| Molecular Formula: | C28 H20 Cl F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | C(c1cccc(c1)C(F)(F)F)NC(c1ccc(CSc2nnc(c3ccco3)n2c2cccc(c2)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.966 |
| logD: | 5.9659 |
| logSw: | -6.4097 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.704 |
| InChI Key: | PDCDGZHQLJOGSO-UHFFFAOYSA-N |