5-(3,4-difluorophenyl)-6-({[3-(3-methylphenyl)-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-methylphenyl)-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-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L944-0610 |
| Compound Name: | 5-(3,4-difluorophenyl)-6-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 452.44 |
| Molecular Formula: | C21 H14 F2 N6 O2 S |
| Smiles: | Cc1cccc(c1)c1nc(CSC2=Nc3c(cn[nH]3)C(N2c2ccc(c(c2)F)F)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.4916 |
| logD: | 4.49 |
| logSw: | -4.2362 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.769 |
| InChI Key: | TXWAWKBEOOZWCC-UHFFFAOYSA-N |