4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V025-3701 |
| Compound Name: | 4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 501.61 |
| Molecular Formula: | C27 H27 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2c2ccc(C)cc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9953 |
| logD: | 4.9953 |
| logSw: | -4.5967 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.478 |
| InChI Key: | OTWHIHZDXIHBCN-UHFFFAOYSA-N |