1-(1,3-benzothiazol-2-yl)-4-{2-[(2-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-{2-[(2-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-{2-[(2-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0013 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-{2-[(2-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C27 H22 N4 O2 S |
| Smiles: | Cc1ccccc1COc1ccccc1C1CC(Nc2c1cnn2c1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.46 |
| logD: | 6.4598 |
| logSw: | -5.6002 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.588 |
| InChI Key: | FMCGKFVCBGRWGN-FQEVSTJZSA-N |