N-(butan-2-yl)-4-({[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-({[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(butan-2-yl)-4-({[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V024-9427 |
| Compound Name: | N-(butan-2-yl)-4-({[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 501.61 |
| Molecular Formula: | C27 H27 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1ccc(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2c2ccc(C)cc2)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2378 |
| logD: | 5.2378 |
| logSw: | -4.9735 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.22 |
| InChI Key: | HENMANGHBMCUKC-IBGZPJMESA-N |