ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-oxo-2-[(propan-2-yl)oxy]ethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-oxo-2-[(propan-2-yl)oxy]ethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-oxo-2-[(propan-2-yl)oxy]ethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0076 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-oxo-2-[(propan-2-yl)oxy]ethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 497.01 |
| Molecular Formula: | C26 H25 Cl N2 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(=O)OC(C)C)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8901 |
| logD: | 1.5467 |
| logSw: | -5.9269 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.923 |
| InChI Key: | UXRLSWGMABSFPV-JOCHJYFZSA-N |