4-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
4-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | Y021-1816 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C25 H23 N3 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc4c(c3)OCO4)c3c(N2)nn(c2ccccc2)c3O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0243 |
| logD: | 3.2803 |
| logSw: | -4.138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.234 |
| InChI Key: | CJHAFSLTGIYZFY-FQEVSTJZSA-N |