ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8002-7029 |
| Compound Name: | ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)cc2CCCCCc2n1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9951 |
| logD: | 4.9951 |
| logSw: | -4.7808 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.925 |
| InChI Key: | KPWIOWCNKXTTJS-QHCPKHFHSA-N |