3-hydroxy-4-[4-(methylsulfanyl)phenyl]-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
3-hydroxy-4-[4-(methylsulfanyl)phenyl]-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
3-hydroxy-4-[4-(methylsulfanyl)phenyl]-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | Y021-1818 |
| Compound Name: | 3-hydroxy-4-[4-(methylsulfanyl)phenyl]-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | CSc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(n(c1ccccc1)n2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1851 |
| logD: | 3.4411 |
| logSw: | -4.2418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.118 |
| InChI Key: | PEOJFVWQTHMENC-IBGZPJMESA-N |