N-(2-chlorophenyl)-2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(2-chlorophenyl)-2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4552-5435 |
| Compound Name: | N-(2-chlorophenyl)-2-{[3-cyano-4-(2,3-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: | COc1cccc(C2CC(NC(=C2C#N)SCC(Nc2ccccc2[Cl])=O)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.893 |
| logD: | 2.8376 |
| logSw: | -3.424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.715 |
| InChI Key: | STGAXICMKKFHBC-CQSZACIVSA-N |