2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 4552-5443 |
| Compound Name: | 2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | Cc1ccc(cc1)NC(CSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2357 |
| logD: | 3.1802 |
| logSw: | -3.449 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.447 |
| InChI Key: | YVEQFOLOYNCULA-QGZVFWFLSA-N |