4-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0237 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C21 H16 N4 O3 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3s2)n1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0181 |
| logD: | 4.0161 |
| logSw: | -4.1304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.742 |
| InChI Key: | KVPCHXXDUJPECC-ZDUSSCGKSA-N |