2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 3448-5817 |
| Compound Name: | 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | CCOc1cc(ccc1O)C1CC(NC(=C1C#N)SCC(Nc1ccc(C)cc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1871 |
| logD: | 3.1316 |
| logSw: | -2.9631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.126 |
| InChI Key: | MXDQRDNCHNGSIQ-QGZVFWFLSA-N |