ethyl [(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]acetate
ethyl [(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]acetate
Compound characteristics
Compound ID: | 3012-0074 |
Compound Name: | ethyl [(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]acetate |
Molecular Weight: | 356.44 |
Molecular Formula: | C19 H20 N2 O3 S |
Smiles: | CCOC(CSC1=C(C#N)C(C(=C(C)N1)C(C)=O)c1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.849 |
logD: | 0.6205 |
logSw: | -3.1647 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.087 |
InChI Key: | GYFCYDCZAGQMGY-SFHVURJKSA-N |