1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-1574 |
| Compound Name: | 1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C21 H18 N4 O2 S2 |
| Smiles: | COc1ccc2c(c1)sc(n2)n1c2c(cn1)C(CC(N2)=O)c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8766 |
| logD: | 4.8699 |
| logSw: | -4.5415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.817 |
| InChI Key: | DBWRAUIZBPKXRE-HNNXBMFYSA-N |