ethyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
ethyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4296-0008 |
| Compound Name: | ethyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 350.82 |
| Molecular Formula: | C16 H15 Cl N2 O3 S |
| Smiles: | CCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7641 |
| logD: | 2.7252 |
| logSw: | -3.5058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.346 |
| InChI Key: | COUFYMVDLRRZFG-NSHDSACASA-N |