2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-cyclohexylacetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-cyclohexylacetamide
2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | 4552-5434 |
| Compound Name: | 2-{[3-cyano-4-(2,3-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-cyclohexylacetamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | COc1cccc(C2CC(NC(=C2C#N)SCC(NC2CCCCC2)=O)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7382 |
| logD: | 2.6827 |
| logSw: | -3.1876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.46 |
| InChI Key: | RVWAVOJGNLDPGR-MRXNPFEDSA-N |