1-(6-methoxy-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-methoxy-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-methoxy-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: | J094-0051 |
| Compound Name: | 1-(6-methoxy-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: | 458.46 |
| Molecular Formula: | C22 H17 F3 N4 O2 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)OC)n1)=O)c1ccc(cc1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.95 |
| logD: | 4.8673 |
| logSw: | -4.7083 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.17 |
| InChI Key: | XZYCRNWYKZFXMN-HNNXBMFYSA-N |