4-(3-bromo-4-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(3-bromo-4-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(3-bromo-4-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0035 |
| Compound Name: | 4-(3-bromo-4-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 487.35 |
| Molecular Formula: | C21 H16 Br F N4 O2 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)OC)n1)=O)c1ccc(c(c1)[Br])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7545 |
| logD: | 4.6718 |
| logSw: | -4.6296 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.17 |
| InChI Key: | MEDHYJKQTAHELK-CYBMUJFWSA-N |