1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(methylsulfanyl)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-[4-(methylsulfanyl)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-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-2520 |
| Compound Name: | 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C23 H22 N4 O2 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2ccc(cc2)SC)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.184 |
| logD: | 5.1013 |
| logSw: | -5.0535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.75 |
| InChI Key: | GFFGGNUCFSQODD-KRWDZBQOSA-N |