5-(3,4-difluorophenyl)-6-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(3,4-difluorophenyl)-6-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(3,4-difluorophenyl)-6-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L944-0625 |
| Compound Name: | 5-(3,4-difluorophenyl)-6-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 498.47 |
| Molecular Formula: | C22 H16 F2 N6 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nc(CSC2=Nc3c(cn[nH]3)C(N2c2ccc(c(c2)F)F)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7448 |
| logD: | 3.7432 |
| logSw: | -3.9427 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.03 |
| InChI Key: | BASQJPRFLBSYIX-UHFFFAOYSA-N |