propan-2-yl ({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
propan-2-yl ({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
propan-2-yl ({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 2188-1802 |
| Compound Name: | propan-2-yl ({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C25 H26 N2 O5 S |
| Smiles: | CC(C)OC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(c(c1)OCc1ccccc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4324 |
| logD: | 3.3769 |
| logSw: | -3.915 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.969 |
| InChI Key: | AKHYSDJSBWBPMC-LJQANCHMSA-N |