N-methyl-4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide
Chemical Structure Depiction of
N-methyl-4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide
N-methyl-4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide
Compound characteristics
| Compound ID: | V027-2651 |
| Compound Name: | N-methyl-4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide |
| Molecular Weight: | 501.61 |
| Molecular Formula: | C27 H27 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCCN(C)C(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2c2ccc(C)cc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.642 |
| logD: | 4.642 |
| logSw: | -4.4574 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.193 |
| InChI Key: | SIZGENJMHCCPJN-UHFFFAOYSA-N |