ethyl 6-(butylsulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-(butylsulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl 6-(butylsulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
Compound ID: | 3329-3817 |
Compound Name: | ethyl 6-(butylsulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
Molecular Weight: | 402.51 |
Molecular Formula: | C21 H26 N2 O4 S |
Smiles: | CCCCSC1=C(C#N)C(C(C(N1)=O)C(=O)OCC)c1ccccc1OCC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.3254 |
logD: | 4.1901 |
logSw: | -4.1391 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.208 |
InChI Key: | SVZUZLYWASNZSB-UHFFFAOYSA-N |