2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | 4554-6426 |
| Compound Name: | 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | CCc1ccccc1NC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1021 |
| logD: | 3.0466 |
| logSw: | -3.3706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.628 |
| InChI Key: | KODCWSSBXINEEA-QGZVFWFLSA-N |