1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D292-0302 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-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: | CCOc1cc(ccc1O)C1CC(Nc2c1c(C)nn2c1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8218 |
| logD: | 3.818 |
| logSw: | -3.6151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.385 |
| InChI Key: | MBQVXYRSTQDDER-AWEZNQCLSA-N |