4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-nitro-1-(propan-2-yl)-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione
Chemical Structure Depiction of
4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-nitro-1-(propan-2-yl)-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione
4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-nitro-1-(propan-2-yl)-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione
Compound characteristics
| Compound ID: | 8020-7251 |
| Compound Name: | 4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-nitro-1-(propan-2-yl)-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,5H)-dione |
| Molecular Weight: | 420.38 |
| Molecular Formula: | C18 H20 N4 O8 |
| Smiles: | CC(C)N1C2=C(C(C(C(N2)=O)[N+]([O-])=O)c2cc3c(c(c2OC)OC)OCO3)C(N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.5633 |
| logD: | -3.7895 |
| logSw: | -2.0965 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.359 |
| InChI Key: | VKSJEAMPPSJXCP-UHFFFAOYSA-N |