2-{[5-(3-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[5-(3-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | F019-0825 |
| Compound Name: | 2-{[5-(3-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C23 H18 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])c1nnc(n1c1ccccc1)SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9319 |
| logD: | 5.9314 |
| logSw: | -6.0638 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.243 |
| InChI Key: | IJKPWGSSSPVAIC-UHFFFAOYSA-N |