methyl ({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
methyl ({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 3448-4327 |
| Compound Name: | methyl ({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C23 H22 N2 O5 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(c(c1)OCc1ccccc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5635 |
| logD: | 2.5081 |
| logSw: | -3.0683 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.711 |
| InChI Key: | TXOJVMXCIMVESY-QGZVFWFLSA-N |