1-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-phenylethoxy)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-4-(2-phenylethoxy)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-phenylethoxy)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0064 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-phenylethoxy)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: | COc1cc(ccc1OCCc1ccccc1)C1CC(Nc2c1cnn2c1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8178 |
| logD: | 5.8177 |
| logSw: | -5.3701 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.137 |
| InChI Key: | KOCYGWMSZQHOKI-FQEVSTJZSA-N |