ethyl {[5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetate
ethyl {[5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3012-0068 |
| Compound Name: | ethyl {[5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 390.89 |
| Molecular Formula: | C19 H19 Cl N2 O3 S |
| Smiles: | CCOC(CSC1=C(C#N)C(C(=C(C)N1)C(C)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6563 |
| logD: | 1.5898 |
| logSw: | -3.9362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.087 |
| InChI Key: | AWHUHBQNOVOLTP-GOSISDBHSA-N |