ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
Compound ID: | C212-0019 |
Compound Name: | ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate |
Molecular Weight: | 515.03 |
Molecular Formula: | C29 H23 Cl N2 O3 S |
Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(c1ccccc1)=O)c1ccccc1[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.4234 |
logD: | 2.2276 |
logSw: | -6.107 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.061 |
InChI Key: | SHLCWXUYDBZQIX-RUZDIDTESA-N |