4-(4-tert-butyl-2-methylphenyl)-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-(4-tert-butyl-2-methylphenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
4-(4-tert-butyl-2-methylphenyl)-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: | Y020-7137 |
| Compound Name: | 4-(4-tert-butyl-2-methylphenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C29 H33 N3 O2 |
| Smiles: | Cc1cc(ccc1C1C2=C(CC(C)(C)CC2=O)Nc2c1c(n(c1ccccc1)n2)O)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.244 |
| logD: | 5.5 |
| logSw: | -5.3289 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.118 |
| InChI Key: | BEXQWAPFWXUVHP-QHCPKHFHSA-N |