4-(4-hydroxy-3-methoxyphenyl)-1-(6-methoxy-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)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4-hydroxy-3-methoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-1588 |
| Compound Name: | 4-(4-hydroxy-3-methoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | COc1ccc2c(c1)sc(n2)n1c2c(cn1)C(CC(N2)=O)c1ccc(c(c1)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4397 |
| logD: | 3.4294 |
| logSw: | -3.5054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.996 |
| InChI Key: | QRBWARRWIYWTAH-ZDUSSCGKSA-N |