2-{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
2-{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8010-4360 |
| Compound Name: | 2-{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 502.39 |
| Molecular Formula: | C22 H20 Br N3 O4 S |
| Smiles: | Cc1ccccc1NC(CSC1=C(C#N)C(CC(N1)=O)c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6762 |
| logD: | 2.6207 |
| logSw: | -2.8898 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.477 |
| InChI Key: | DPSURRFXMDWTCG-AWEZNQCLSA-N |