1-(1,3-benzoxazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzoxazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzoxazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0260 |
| Compound Name: | 1-(1,3-benzoxazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 389.37 |
| Molecular Formula: | C20 H15 N5 O4 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3o2)n1)=O)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3071 |
| logD: | 3.3069 |
| logSw: | -3.6941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.325 |
| InChI Key: | STIRZHFKRVMWEU-CYBMUJFWSA-N |