2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 4296-0482 |
| Compound Name: | 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC(NC(=C1C#N)SCC(Nc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4108 |
| logD: | 2.3553 |
| logSw: | -2.9932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.326 |
| InChI Key: | IZYBSZHFPRFCIQ-MRXNPFEDSA-N |