1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chlorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chlorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chlorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0081 |
| Compound Name: | 1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3-chlorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 473.78 |
| Molecular Formula: | C20 H14 Br Cl N4 O S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)[Br])n1)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3868 |
| logD: | 5.3849 |
| logSw: | -5.9483 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.627 |
| InChI Key: | PCKCSGZEZQAMDK-AWEZNQCLSA-N |