1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(trifluoromethyl)phenyl]-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)-3-methyl-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0084 |
| Compound Name: | 1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 507.33 |
| Molecular Formula: | C21 H14 Br F3 N4 O S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)[Br])n1)=O)c1ccc(cc1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6199 |
| logD: | 5.618 |
| logSw: | -5.4807 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.627 |
| InChI Key: | KGIDGMYXMUZLHS-AWEZNQCLSA-N |