1-(1,3-benzothiazol-2-yl)-4-{4-[(2-chlorophenyl)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-{4-[(2-chlorophenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-{4-[(2-chlorophenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0049 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-{4-[(2-chlorophenyl)methoxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 486.98 |
| Molecular Formula: | C26 H19 Cl N4 O2 S |
| Smiles: | C1C(c2ccc(cc2)OCc2ccccc2[Cl])c2cnn(c2NC1=O)c1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9897 |
| logD: | 5.9896 |
| logSw: | -6.2496 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.501 |
| InChI Key: | XUVDRNKJHFXEMB-LJQANCHMSA-N |