6-({[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-({[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-({[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L944-0025 |
| Compound Name: | 6-({[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 499.32 |
| Molecular Formula: | C20 H12 Br F N6 O2 S |
| Smiles: | C(c1nc(c2ccc(c(c2)[Br])F)no1)SC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4906 |
| logD: | 4.4886 |
| logSw: | -4.3378 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.769 |
| InChI Key: | QPELLJUOXGNENT-UHFFFAOYSA-N |