5-phenyl-6-({[3-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-phenyl-6-({[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L944-0027 |
| Compound Name: | 5-phenyl-6-({[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C23 H20 N6 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(CSC2=Nc3c(cn[nH]3)C(N2c2ccccc2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.1152 |
| logD: | 3.1132 |
| logSw: | -3.3988 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.747 |
| InChI Key: | HWUKLXLFZURIBX-UHFFFAOYSA-N |