methyl {[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8009-1210 |
| Compound Name: | methyl {[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C16 H16 N2 O4 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7272 |
| logD: | 1.6717 |
| logSw: | -2.3459 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.396 |
| InChI Key: | NXYDQNQEOTVWTM-LLVKDONJSA-N |