2-{4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
Chemical Structure Depiction of
2-{4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
2-{4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
Compound characteristics
| Compound ID: | J081-0206 |
| Compound Name: | 2-{4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C22 H19 N5 O3 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3s2)n1)=O)c1ccc(cc1)OCC(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4792 |
| logD: | 2.4773 |
| logSw: | -2.8299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.514 |
| InChI Key: | ALNCADGPYJZXSA-HNNXBMFYSA-N |