3-(4-ethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
3-(4-ethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
3-(4-ethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | C202-2020 |
| Compound Name: | 3-(4-ethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C27 H29 N3 O2 |
| Smiles: | CCc1ccc(cc1)c1c2C(C3=C(CC(C)(C)CC3=O)Nc2[nH]n1)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4913 |
| logD: | 5.4895 |
| logSw: | -5.5093 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.65 |
| InChI Key: | NXIUQVDDGSOMDX-QFIPXVFZSA-N |