ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
Compound ID: | C212-0018 |
Compound Name: | ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate |
Molecular Weight: | 558.1 |
Molecular Formula: | C31 H28 Cl N3 O3 S |
Smiles: | CCc1ccccc1NC(CSC1=C(C#N)C(C(=C(c2ccccc2)N1)C(=O)OCC)c1ccccc1[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.9008 |
logD: | 2.5574 |
logSw: | -6.2915 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.265 |
InChI Key: | WMKZPBHBROMMSB-HHHXNRCGSA-N |