2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 4554-6368 |
| Compound Name: | 2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSC1=C(C#N)C(CC(N1)=O)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1831 |
| logD: | 3.1276 |
| logSw: | -3.1954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.647 |
| InChI Key: | NAUVZUQQDJNWNY-GOSISDBHSA-N |