1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-(3-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-(3-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-(3-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0060 |
| Compound Name: | 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-(3-nitrophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)OC)n1)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9863 |
| logD: | 3.9037 |
| logSw: | -4.2564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.552 |
| InChI Key: | NAEZWORJYYPDIR-HNNXBMFYSA-N |