3-(4-ethylphenyl)-7,7-dimethyl-4-phenyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
3-(4-ethylphenyl)-7,7-dimethyl-4-phenyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
3-(4-ethylphenyl)-7,7-dimethyl-4-phenyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | C202-2022 |
| Compound Name: | 3-(4-ethylphenyl)-7,7-dimethyl-4-phenyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C26 H27 N3 O |
| Smiles: | CCc1ccc(cc1)c1c2C(C3=C(CC(C)(C)CC3=O)Nc2[nH]n1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5132 |
| logD: | 5.5114 |
| logSw: | -5.5645 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.106 |
| InChI Key: | FOCPHKRPQOJWMF-NRFANRHFSA-N |