2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 4552-5439 |
| Compound Name: | 2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | Cc1ccc(cc1)NC(CSC1=C(C#N)C(CC(N1)=O)c1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2657 |
| logD: | 3.2102 |
| logSw: | -3.4491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.412 |
| InChI Key: | DKGLMMHELWBLMB-QGZVFWFLSA-N |