3-(4-nitrophenyl)-4-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
3-(4-nitrophenyl)-4-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
3-(4-nitrophenyl)-4-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | C202-1880 |
| Compound Name: | 3-(4-nitrophenyl)-4-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C20 H16 N4 O3 S |
| Smiles: | C1CC2=C(C(c3c(c4ccc(cc4)[N+]([O-])=O)n[nH]c3N2)c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.594 |
| logD: | 3.593 |
| logSw: | -3.982 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.506 |
| InChI Key: | NWHWNUPCDNTNHS-QGZVFWFLSA-N |