4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | E710-0061 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 474.52 |
| Molecular Formula: | C26 H26 N4 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OC)c3c(c4ccc(cc4)[N+]([O-])=O)n[nH]c3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1587 |
| logD: | 4.1569 |
| logSw: | -4.4946 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.748 |
| InChI Key: | QHUMQBGNKMQSFQ-NRFANRHFSA-N |