2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 4554-6395 |
| Compound Name: | 2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 468.49 |
| Molecular Formula: | C22 H20 N4 O6 S |
| Smiles: | COc1cccc(C2CC(NC(=C2C#N)SCC(Nc2ccc(cc2)[N+]([O-])=O)=O)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7679 |
| logD: | 2.7125 |
| logSw: | -3.3476 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.794 |
| InChI Key: | ZVXSDZDDZVVICI-MRXNPFEDSA-N |