N-benzyl-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-benzyl-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4554-6423 |
| Compound Name: | N-benzyl-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC(NC(=C1C#N)SCC(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2838 |
| logD: | 2.2284 |
| logSw: | -2.9548 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.648 |
| InChI Key: | IOMNKWWAKBPGMR-QGZVFWFLSA-N |