ethyl {[3-cyano-6-oxo-4-(3-phenoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-cyano-6-oxo-4-(3-phenoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
ethyl {[3-cyano-6-oxo-4-(3-phenoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2699-0076 |
| Compound Name: | ethyl {[3-cyano-6-oxo-4-(3-phenoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C22 H20 N2 O4 S |
| Smiles: | CCOC(CSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)Oc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7939 |
| logD: | 3.7384 |
| logSw: | -4.0107 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.094 |
| InChI Key: | PIRIDQKQGVEKNU-GOSISDBHSA-N |