1-(1,3-benzothiazol-2-yl)-3-methyl-4-{2-[(4-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)-3-methyl-4-{2-[(4-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-3-methyl-4-{2-[(4-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0155 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-3-methyl-4-{2-[(4-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C28 H24 N4 O2 S |
| Smiles: | Cc1ccc(COc2ccccc2C2CC(Nc3c2c(C)nn3c2nc3ccccc3s2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2183 |
| logD: | 6.2164 |
| logSw: | -5.5914 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.941 |
| InChI Key: | DEWZVJKJIKNPNK-NRFANRHFSA-N |