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]benzoic acid
Chemical Structure Depiction of
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]benzoic acid
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]benzoic acid
Compound characteristics
| Compound ID: | J094-0451 |
| Compound Name: | 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]benzoic acid |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C22 H18 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2ccc(cc2)C(O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2575 |
| logD: | 1.286 |
| logSw: | -4.1424 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.035 |
| InChI Key: | NJGOAMIEPNIXQC-HNNXBMFYSA-N |