3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0461 |
| Compound Name: | 3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 442.46 |
| Molecular Formula: | C22 H17 F3 N4 O S |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2cccc(c2)C(F)(F)F)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3463 |
| logD: | 5.3409 |
| logSw: | -5.4646 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.627 |
| InChI Key: | WGHFYXNPHGRHRO-HNNXBMFYSA-N |