methyl 4-[5-nitro-3,6-dioxo-1-(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-nitro-3,6-dioxo-1-(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
methyl 4-[5-nitro-3,6-dioxo-1-(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate
Compound characteristics
| Compound ID: | 8020-7249 |
| Compound Name: | methyl 4-[5-nitro-3,6-dioxo-1-(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate |
| Molecular Weight: | 374.35 |
| Molecular Formula: | C17 H18 N4 O6 |
| Smiles: | CC(C)N1C2=C(C(C(C(N2)=O)[N+]([O-])=O)c2ccc(cc2)C(=O)OC)C(N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8799 |
| logD: | -3.4729 |
| logSw: | -2.0189 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.299 |
| InChI Key: | DBWFIJXTLAZRHC-UHFFFAOYSA-N |