ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
Compound ID: | C212-0057 |
Compound Name: | ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
Molecular Weight: | 598.04 |
Molecular Formula: | C30 H23 Cl F3 N3 O3 S |
Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1ccccc1C(F)(F)F)=O)c1ccccc1[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.9168 |
logD: | 2.5735 |
logSw: | -6.2231 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.265 |
InChI Key: | GRQPOFKXWWMXAB-RUZDIDTESA-N |