4-(3-hydroxyphenyl)-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-(3-hydroxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(3-hydroxyphenyl)-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: | J081-2197 |
| Compound Name: | 4-(3-hydroxyphenyl)-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: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2cccc(c2)O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0088 |
| logD: | 4.0005 |
| logSw: | -3.8576 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.244 |
| InChI Key: | ZQQDZWHKWHSYDF-HNNXBMFYSA-N |