N-(3-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0323 |
| Compound Name: | N-(3-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 432.46 |
| Molecular Formula: | C21 H16 N6 O3 S |
| Smiles: | C(C(Nc1cccc(c1)[N+]([O-])=O)=O)Sc1nnc(c2ccncc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4847 |
| logD: | 3.4841 |
| logSw: | -3.7932 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.672 |
| InChI Key: | ANXWCLKPEQELPO-UHFFFAOYSA-N |