2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 4552-4330 |
| Compound Name: | 2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | Cc1ccccc1C1CC(NC(=C1C#N)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3322 |
| logD: | 3.2767 |
| logSw: | -3.6263 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.447 |
| InChI Key: | LSEDUMRFFRYYNP-QGZVFWFLSA-N |