ethyl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
ethyl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-0342 |
| Compound Name: | ethyl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate |
| Molecular Weight: | 564.66 |
| Molecular Formula: | C32 H28 N4 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)cc2CCCc2n1)c1cccc(c1)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5703 |
| logD: | 5.5702 |
| logSw: | -5.4179 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.188 |
| InChI Key: | XBBVNVISAZTBKB-NDEPHWFRSA-N |