N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide
N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V010-0747 |
| Compound Name: | N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide |
| Molecular Weight: | 528.42 |
| Molecular Formula: | C24 H19 Cl2 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1CSc1nnc(CNC(c2ccc(cc2)[N+]([O-])=O)=O)n1c1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0558 |
| logD: | 6.0558 |
| logSw: | -6.054 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.454 |
| InChI Key: | NALFSXIGEGTTLY-UHFFFAOYSA-N |