2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 4554-6345 |
| Compound Name: | 2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | CCOc1ccc(cc1)C1CC(NC(=C1C#N)SCC(Nc1ccccc1[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0186 |
| logD: | 2.9631 |
| logSw: | -3.5122 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.571 |
| InChI Key: | XBGBDOBKKHPVJP-MRXNPFEDSA-N |