3-methyl-4-[4-(methylsulfanyl)phenyl]-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-4-[4-(methylsulfanyl)phenyl]-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-4-[4-(methylsulfanyl)phenyl]-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0911 |
| Compound Name: | 3-methyl-4-[4-(methylsulfanyl)phenyl]-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C20 H19 N7 O S |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc3nnc(C)n3n2)n1)=O)c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1359 |
| logD: | 2.1326 |
| logSw: | -2.8138 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.762 |
| InChI Key: | MGKDBVGXBWPDHQ-OAHLLOKOSA-N |