3-methyl-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-0081 |
| Compound Name: | 3-methyl-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 273.35 |
| Molecular Formula: | C14 H15 N3 O S |
| Smiles: | Cc1c2C(CC(Nc2[nH]n1)=O)c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1771 |
| logD: | 2.1768 |
| logSw: | -2.766 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.702 |
| InChI Key: | ROEAVTPFVRRZKT-LLVKDONJSA-N |