6-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(2-ethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(2-ethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(2-ethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K781-5660 |
| Compound Name: | 6-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(2-ethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 398.43 |
| Molecular Formula: | C20 H16 F2 N4 O S |
| Smiles: | CCc1ccccc1N1C(=Nc2c(cn[nH]2)C1=O)SCc1c(cccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 4.2234 |
| logD: | 4.2208 |
| logSw: | -4.2005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.125 |
| InChI Key: | HPGGUZOFTUILNH-UHFFFAOYSA-N |