4-(4-bromophenyl)-3-(4-ethylphenyl)-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
4-(4-bromophenyl)-3-(4-ethylphenyl)-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
4-(4-bromophenyl)-3-(4-ethylphenyl)-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | C202-2054 |
| Compound Name: | 4-(4-bromophenyl)-3-(4-ethylphenyl)-7,7-dimethyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 476.42 |
| Molecular Formula: | C26 H26 Br N3 O |
| Smiles: | CCc1ccc(cc1)c1c2C(C3=C(CC(C)(C)CC3=O)Nc2[nH]n1)c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3428 |
| logD: | 6.341 |
| logSw: | -5.6458 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.106 |
| InChI Key: | JRRRMVQRAPIOMJ-NRFANRHFSA-N |