4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
Chemical Structure Depiction of
4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
Compound characteristics
| Compound ID: | J094-0418 |
| Compound Name: | 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | CCOc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2ccc(cc2)C(O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3129 |
| logD: | 1.3414 |
| logSw: | -4.1806 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.158 |
| InChI Key: | DISBWYQQXZNYAD-INIZCTEOSA-N |