4-(3,4-dihydroxyphenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(3,4-dihydroxyphenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(3,4-dihydroxyphenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8020-7229 |
| Compound Name: | 4-(3,4-dihydroxyphenyl)-5-nitro-1-(propan-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 332.31 |
| Molecular Formula: | C15 H16 N4 O5 |
| Smiles: | CC(C)n1c2c(cn1)C(C(C(N2)=O)[N+]([O-])=O)c1ccc(c(c1)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.698 |
| logD: | -2.0036 |
| logSw: | -1.996 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.448 |
| InChI Key: | DUNDRVISRGJAFI-UHFFFAOYSA-N |