ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0026 |
| Compound Name: | ethyl 6-[(2-butoxy-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 511.04 |
| Molecular Formula: | C27 H27 Cl N2 O4 S |
| Smiles: | CCCCOC(CSC1=C(C#N)C(C(=C(c2ccccc2)N1)C(=O)OCC)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4844 |
| logD: | 2.141 |
| logSw: | -6.099 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.538 |
| InChI Key: | XWXOKZZLNNKSON-HSZRJFAPSA-N |