benzyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

Chemical Structure Depiction of
benzyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Available: 47 mg
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mg
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Compound characteristics

Compound ID: 8009-6800
Compound Name: benzyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Molecular Weight: 438.5
Molecular Formula: C23 H22 N2 O5 S
Smiles: CCOc1cc(ccc1O)C1CC(NC(=C1C#N)SCC(=O)OCc1ccccc1)=O
Stereo: RACEMIC MIXTURE
logP: 3.1851
logD: 3.1296
logSw: -3.3258
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 85.208
InChI Key: RAWTZSRLNMWBDC-QGZVFWFLSA-N
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