1-(1,3-benzothiazol-2-yl)-4-{3-methoxy-2-[(prop-2-en-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-methoxy-2-[(prop-2-en-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-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0030 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C23 H20 N4 O3 S |
| Smiles: | COc1cccc(C2CC(Nc3c2cnn3c2nc3ccccc3s2)=O)c1OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6344 |
| logD: | 4.6343 |
| logSw: | -4.3204 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.495 |
| InChI Key: | MZJNYPISDIRLPD-HNNXBMFYSA-N |