5-phenyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-phenyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-phenyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L944-0020 |
| Compound Name: | 5-phenyl-6-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 470.43 |
| Molecular Formula: | C21 H13 F3 N6 O2 S |
| Smiles: | C(c1nc(c2cccc(c2)C(F)(F)F)no1)SC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4345 |
| logD: | 4.4325 |
| logSw: | -4.359 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.769 |
| InChI Key: | WCAHOUTYKGYFNA-UHFFFAOYSA-N |