ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0005 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 529.06 |
| Molecular Formula: | C30 H25 Cl N2 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(c1ccc(C)cc1)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9518 |
| logD: | 2.756 |
| logSw: | -6.2516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.061 |
| InChI Key: | QPLYKTIBUPJIKV-AREMUKBSSA-N |