4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V022-6275 |
| Compound Name: | 4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 457.6 |
| Molecular Formula: | C26 H27 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nnc(c3ccncc3)n2c2cccc(C)c2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4129 |
| logD: | 4.4129 |
| logSw: | -4.1134 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.826 |
| InChI Key: | ATUSVGIAUCVKGV-UHFFFAOYSA-N |