4-(2,5-dimethylphenyl)-1-(6-methoxy-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-(2,5-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2,5-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-2415 |
| Compound Name: | 4-(2,5-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)C1CC(Nc2c1c(C)nn2c1nc2ccc(cc2s1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0611 |
| logD: | 4.9785 |
| logSw: | -4.6595 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.17 |
| InChI Key: | NTTFMTNABOREMP-KRWDZBQOSA-N |