1-(1,3-benzothiazol-2-yl)-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0035 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C20 H16 N4 O S2 |
| Smiles: | CSc1ccc(cc1)C1CC(Nc2c1cnn2c1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8199 |
| logD: | 4.8198 |
| logSw: | -4.3928 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.274 |
| InChI Key: | BQVCEZQUFNAULW-AWEZNQCLSA-N |