2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8011-0396 |
| Compound Name: | 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | Cc1ccccc1NC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(c(c1)OC)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9805 |
| logD: | 1.9251 |
| logSw: | -2.4779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.546 |
| InChI Key: | ACQANESRNJDMRM-OAHLLOKOSA-N |