ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0060 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 602.11 |
| Molecular Formula: | C32 H28 Cl N3 O5 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1ccc(cc1)C(=O)OCC)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0026 |
| logD: | 2.6592 |
| logSw: | -6.2952 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.717 |
| InChI Key: | VYWLTLRMBLLTDN-HHHXNRCGSA-N |