4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-2194 |
| Compound Name: | 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2ccc(c(c2)OC)O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6917 |
| logD: | 3.6828 |
| logSw: | -3.69 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.805 |
| InChI Key: | DETCXINOEUPHQK-AWEZNQCLSA-N |