4-chloro-N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}benzamide
4-chloro-N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}benzamide
Compound characteristics
| Compound ID: | V010-0244 |
| Compound Name: | 4-chloro-N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}benzamide |
| Molecular Weight: | 584.1 |
| Molecular Formula: | C31 H26 Cl N5 O3 S |
| Smiles: | Cc1cccc(CSc2nnc(C(Cc3ccccc3)NC(c3ccc(cc3)[Cl])=O)n2c2ccc(cc2)[N+]([O-])=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1436 |
| logD: | 7.1429 |
| logSw: | -6.3236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.138 |
| InChI Key: | WJIFLFQEFQYHKU-NDEPHWFRSA-N |