N-(4-chlorophenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y500-1175 |
| Compound Name: | N-(4-chlorophenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 465.92 |
| Molecular Formula: | C22 H16 Cl N5 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)[Cl])=O)Sc1nnc(c2cccc(c2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2048 |
| logD: | 5.2047 |
| logSw: | -5.805 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.243 |
| InChI Key: | YLUWAEQIRZCJJX-UHFFFAOYSA-N |