2-{4-[3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
Chemical Structure Depiction of
2-{4-[3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
2-{4-[3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
Compound characteristics
| Compound ID: | J081-2214 |
| Compound Name: | 2-{4-[3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2ccc(cc2)OCC(N)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8679 |
| logD: | 2.8626 |
| logSw: | -3.2468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.514 |
| InChI Key: | IFOGJOCDSMZSHH-INIZCTEOSA-N |