4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide
Chemical Structure Depiction of
4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide
4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | V014-8058 |
| Compound Name: | 4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide |
| Molecular Weight: | 519.67 |
| Molecular Formula: | C31 H29 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC(c1ccc(CSc2nnc(c3cccnc3)n2c2ccc(C)cc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2241 |
| logD: | 6.2198 |
| logSw: | -5.2791 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.322 |
| InChI Key: | FEGDSMXWVWDNQF-UHFFFAOYSA-N |