ethyl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
ethyl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-3642 |
| Compound Name: | ethyl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C32 H30 N4 O4 S |
| Smiles: | CCc1c(C)cc(C#N)c(n1)SCC1=C(C(C(C#N)=C(N)O1)c1cccc(c1)OCc1ccccc1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8976 |
| logD: | 5.8976 |
| logSw: | -5.5441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.666 |
| InChI Key: | KRPBGDCDQSREIV-NDEPHWFRSA-N |