5-(3-chloro-4-methoxyphenyl)-6-({[3-(4-fluorophenyl)-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-chloro-4-methoxyphenyl)-6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(3-chloro-4-methoxyphenyl)-6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L944-0466 |
| Compound Name: | 5-(3-chloro-4-methoxyphenyl)-6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 484.89 |
| Molecular Formula: | C21 H14 Cl F N6 O3 S |
| Smiles: | COc1ccc(cc1[Cl])N1C(=Nc2c(cn[nH]2)C1=O)SCc1nc(c2ccc(cc2)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.1587 |
| logD: | 4.1571 |
| logSw: | -4.483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.4 |
| InChI Key: | RQLWWDJDPVICJZ-UHFFFAOYSA-N |