1-(1,3-benzothiazol-2-yl)-4-{3-[(prop-2-yn-1-yl)oxy]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-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-{3-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0121 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-{3-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 400.46 |
| Molecular Formula: | C22 H16 N4 O2 S |
| Smiles: | C#CCOc1cccc(c1)C1CC(Nc2c1cnn2c1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2554 |
| logD: | 4.2552 |
| logSw: | -4.31 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.691 |
| InChI Key: | XFIBXCMXZUQZSX-INIZCTEOSA-N |