N-(3-acetylphenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-acetylphenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D419-0700 |
| Compound Name: | N-(3-acetylphenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 473.51 |
| Molecular Formula: | C24 H19 N5 O4 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1nnc(c2cccc(c2)[N+]([O-])=O)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.351 |
| logD: | 4.3509 |
| logSw: | -4.3847 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.07 |
| InChI Key: | BQWNVMNFHUVBRO-UHFFFAOYSA-N |