2-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
2-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
2-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V030-0250 |
| Compound Name: | 2-({[4-(4-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(c1ccccc1CSc1nnc(c2ccncc2)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1752 |
| logD: | 5.1752 |
| logSw: | -4.8304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.826 |
| InChI Key: | JFOMJUNCQGXWMP-UHFFFAOYSA-N |