6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(3,4-difluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(3,4-difluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(3,4-difluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L944-0624 |
| Compound Name: | 6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(3,4-difluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 482.42 |
| Molecular Formula: | C21 H12 F2 N6 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nc(CSC2=Nc3c(cn[nH]3)C(N2c2ccc(c(c2)F)F)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.043 |
| logD: | 4.0414 |
| logSw: | -4.2331 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.885 |
| InChI Key: | JNEDPPTUNOOOJH-UHFFFAOYSA-N |