2-{[3-cyano-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
2-{[3-cyano-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
Compound ID: | 2188-0739 |
Compound Name: | 2-{[3-cyano-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide |
Molecular Weight: | 393.46 |
Molecular Formula: | C21 H19 N3 O3 S |
Smiles: | COc1ccc(cc1)C1CC(NC(=C1C#N)SCC(Nc1ccccc1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6939 |
logD: | 2.6384 |
logSw: | -3.205 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.609 |
InChI Key: | ZMAXZVZYLCBXTI-QGZVFWFLSA-N |