4-({[4-(4-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-({[4-(4-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
4-({[4-(4-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V026-1314 |
| Compound Name: | 4-({[4-(4-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 462.64 |
| Molecular Formula: | C25 H26 N4 O S2 |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nnc(c3cccs3)n2c2ccc(C)cc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3381 |
| logD: | 5.338 |
| logSw: | -5.2348 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.416 |
| InChI Key: | VMAAWMQAKMOMBD-UHFFFAOYSA-N |