ethyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
Compound ID: | C212-0002 |
Compound Name: | ethyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate |
Molecular Weight: | 564.49 |
Molecular Formula: | C29 H23 Cl2 N3 O3 S |
Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1cccc(c1)[Cl])=O)c1ccccc1[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 7.1548 |
logD: | 2.8114 |
logSw: | -6.3266 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.963 |
InChI Key: | QYIHSUXTNXOXHJ-RUZDIDTESA-N |