1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0032 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 428.43 |
| Molecular Formula: | C21 H15 F3 N4 O S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3s2)n1)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9576 |
| logD: | 4.9557 |
| logSw: | -4.6928 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.627 |
| InChI Key: | IKZACKHTWNWEOB-AWEZNQCLSA-N |