1-(1,3-benzothiazol-2-yl)-4-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-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-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0197 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Smiles: | CCOc1cc(ccc1OCC=C)C1CC(Nc2c1c(C)nn2c1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6496 |
| logD: | 4.6477 |
| logSw: | -4.4569 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.341 |
| InChI Key: | BKLCQYSHMUFOTE-KRWDZBQOSA-N |