2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 4554-6439 |
| Compound Name: | 2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | Cc1ccc(cc1C)NC(CSC1=C(C#N)C(CC(N1)=O)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6572 |
| logD: | 3.6018 |
| logSw: | -3.8757 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.043 |
| InChI Key: | NATSWIARKDRJPZ-GOSISDBHSA-N |