7,7-dimethyl-3-(4-methylphenyl)-4-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
7,7-dimethyl-3-(4-methylphenyl)-4-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
7,7-dimethyl-3-(4-methylphenyl)-4-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | C202-1755 |
| Compound Name: | 7,7-dimethyl-3-(4-methylphenyl)-4-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C25 H24 N4 O3 |
| Smiles: | Cc1ccc(cc1)c1c2C(C3=C(CC(C)(C)CC3=O)Nc2[nH]n1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9273 |
| logD: | 4.9255 |
| logSw: | -4.7263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.487 |
| InChI Key: | NCDROPGVNDBYAO-FQEVSTJZSA-N |