4-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-2205 |
| Compound Name: | 4-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | CCOc1cc(ccc1OCC=C)C1CC(Nc2c1c(C)nn2c1nc2ccc(C)cc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0383 |
| logD: | 5.0329 |
| logSw: | -4.7325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.341 |
| InChI Key: | OARVLJMZNWYNGB-SFHVURJKSA-N |