4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-3875 |
| Compound Name: | 4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 457.6 |
| Molecular Formula: | C26 H27 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccc(C)cc1)SCc1ccc(cc1)C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8362 |
| logD: | 3.8328 |
| logSw: | -3.7667 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.826 |
| InChI Key: | HDRWRIZSKRPNQM-UHFFFAOYSA-N |