4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)phenyl benzoate
Chemical Structure Depiction of
4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)phenyl benzoate
4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)phenyl benzoate
Compound characteristics
| Compound ID: | Y020-7025 |
| Compound Name: | 4-(3-hydroxy-7,7-dimethyl-5-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)phenyl benzoate |
| Molecular Weight: | 505.57 |
| Molecular Formula: | C31 H27 N3 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)OC(c3ccccc3)=O)c3c(N2)nn(c2ccccc2)c3O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0657 |
| logD: | 4.3217 |
| logSw: | -4.6011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.496 |
| InChI Key: | HZLOJGLLAITUIO-VWLOTQADSA-N |