5-(4-chlorophenyl)-6-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(4-chlorophenyl)-6-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(4-chlorophenyl)-6-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K643-0640 |
| Compound Name: | 5-(4-chlorophenyl)-6-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 404.82 |
| Molecular Formula: | C18 H11 Cl F2 N4 O S |
| Smiles: | C(c1c(cccc1F)F)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0182 |
| logD: | 4.0164 |
| logSw: | -4.6969 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.426 |
| InChI Key: | XYYDUMKZYVQXRL-UHFFFAOYSA-N |