2-{4-[1-(1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-methoxyphenoxy}acetamide
Chemical Structure Depiction of
2-{4-[1-(1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-methoxyphenoxy}acetamide
2-{4-[1-(1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-methoxyphenoxy}acetamide
Compound characteristics
| Compound ID: | J081-0078 |
| Compound Name: | 2-{4-[1-(1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-methoxyphenoxy}acetamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | COc1cc(ccc1OCC(N)=O)C1CC(Nc2c1cnn2c1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3852 |
| logD: | 2.3851 |
| logSw: | -3.0256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.878 |
| InChI Key: | LORBMNZNLDYUMH-ZDUSSCGKSA-N |