ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0065 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 558.1 |
| Molecular Formula: | C31 H28 Cl N3 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1ccc(C)c(C)c1)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3887 |
| logD: | 3.0453 |
| logSw: | -6.3016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.963 |
| InChI Key: | SRKSUMSACOJZKM-HHHXNRCGSA-N |