4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3-(3-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3-(3-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3-(3-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | C202-2379 |
| Compound Name: | 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-3-(3-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C26 H27 N5 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)N(C)C)c3c(c4cccc(c4)[N+]([O-])=O)n[nH]c3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7006 |
| logD: | 4.6918 |
| logSw: | -4.6078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.292 |
| InChI Key: | LSVAJAVSJVHPFK-NRFANRHFSA-N |