4-[1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
Chemical Structure Depiction of
4-[1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
4-[1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile
Compound characteristics
| Compound ID: | J094-0091 |
| Compound Name: | 4-[1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile |
| Molecular Weight: | 464.34 |
| Molecular Formula: | C21 H14 Br N5 O S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)[Br])n1)=O)c1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4016 |
| logD: | 4.3997 |
| logSw: | -4.3222 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.683 |
| InChI Key: | JWKOVJYHFMDXDB-HNNXBMFYSA-N |