4-[4-(methylsulfanyl)phenyl]-1,3-diphenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-[4-(methylsulfanyl)phenyl]-1,3-diphenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-[4-(methylsulfanyl)phenyl]-1,3-diphenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 7999-0645 |
| Compound Name: | 4-[4-(methylsulfanyl)phenyl]-1,3-diphenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C25 H21 N3 O S |
| Smiles: | CSc1ccc(cc1)C1CC(Nc2c1c(c1ccccc1)nn2c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0889 |
| logD: | 5.0889 |
| logSw: | -4.9133 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.013 |
| InChI Key: | VZURNXPZFGETJQ-OAQYLSRUSA-N |