N-cyclopropyl-4-({[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-cyclopropyl-4-({[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-cyclopropyl-4-({[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V024-9345 |
| Compound Name: | N-cyclopropyl-4-({[4-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C26 H23 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccc(cc1)C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9037 |
| logD: | 4.9037 |
| logSw: | -4.6002 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.564 |
| InChI Key: | WOLPREFZNCJIHH-UHFFFAOYSA-N |