N-(3-chlorophenyl)-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4296-0455 |
| Compound Name: | N-(3-chlorophenyl)-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 457.93 |
| Molecular Formula: | C22 H20 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC(NC(=C1C#N)SCC(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3561 |
| logD: | 3.3006 |
| logSw: | -3.9179 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.326 |
| InChI Key: | BJBSETBQXUBPRQ-MRXNPFEDSA-N |