2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | D360-0454 |
| Compound Name: | 2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C21 H16 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1ccc(C#N)c(n1)SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2005 |
| logD: | 5.1996 |
| logSw: | -5.002 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.03 |
| InChI Key: | HLUZAHZRDYVRJI-UHFFFAOYSA-N |