2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
Chemical Structure Depiction of
2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
Compound characteristics
| Compound ID: | D419-0723 |
| Compound Name: | 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide |
| Molecular Weight: | 432.46 |
| Molecular Formula: | C21 H16 N6 O3 S |
| Smiles: | C(C(Nc1cccnc1)=O)Sc1nnc(c2cccc(c2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5336 |
| logD: | 3.533 |
| logSw: | -3.6706 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.761 |
| InChI Key: | YUXSLLMJSRFYNI-UHFFFAOYSA-N |