1-(1,3-benzothiazol-2-yl)-4-{3-methoxy-2-[(3-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-{3-methoxy-2-[(3-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-{3-methoxy-2-[(3-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0024 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-{3-methoxy-2-[(3-methylphenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C28 H24 N4 O3 S |
| Smiles: | Cc1cccc(COc2c(cccc2OC)C2CC(Nc3c2cnn3c2nc3ccccc3s2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2687 |
| logD: | 6.2686 |
| logSw: | -5.3679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.305 |
| InChI Key: | URUUDCHRNRTCTN-FQEVSTJZSA-N |