1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-{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-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-{2-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-{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: | J081-2513 |
| Compound Name: | 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-{2-[(prop-2-en-1-yl)oxy]phenyl}-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: | CCOc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2ccccc2OCC=C)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4822 |
| logD: | 5.3995 |
| logSw: | -5.4243 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.255 |
| InChI Key: | AJFLUQKYIPCSQU-SFHVURJKSA-N |