1-(4-methylphenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-methylphenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-methylphenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L984-0085 |
| Compound Name: | 1-(4-methylphenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 430.49 |
| Molecular Formula: | C22 H18 N6 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(N(Cc1nc(c3ccc(cc3)SC)no1)C=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7635 |
| logD: | 4.7635 |
| logSw: | -4.4403 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.632 |
| InChI Key: | REMBNGLBQXIPDD-UHFFFAOYSA-N |