ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-3636 |
| Compound Name: | ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C26 H24 N4 O3 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)cc2CCCc2n1)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8443 |
| logD: | 4.8443 |
| logSw: | -4.848 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.96 |
| InChI Key: | NWSXMXVMPONZPL-QFIPXVFZSA-N |