ethyl 6'-[(2-butoxy-2-oxoethyl)sulfanyl]-5'-cyano-2'-phenyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate
Chemical Structure Depiction of
ethyl 6'-[(2-butoxy-2-oxoethyl)sulfanyl]-5'-cyano-2'-phenyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate
ethyl 6'-[(2-butoxy-2-oxoethyl)sulfanyl]-5'-cyano-2'-phenyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate
Compound characteristics
| Compound ID: | 4088-0086 |
| Compound Name: | ethyl 6'-[(2-butoxy-2-oxoethyl)sulfanyl]-5'-cyano-2'-phenyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | CCCCOC(CSC1=C(C#N)C(C(=C(c2ccccc2)N1)C(=O)OCC)c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5932 |
| logD: | 0.2069 |
| logSw: | -4.0506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.056 |
| InChI Key: | OTQKBKNWPVMJLG-QFIPXVFZSA-N |