6-({[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-({[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-({[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L944-0030 |
| Compound Name: | 6-({[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 446.49 |
| Molecular Formula: | C22 H18 N6 O3 S |
| Smiles: | CCOc1cccc(c1)c1nc(CSC2=Nc3c(cn[nH]3)C(N2c2ccccc2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.0806 |
| logD: | 4.0787 |
| logSw: | -4.0475 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.893 |
| InChI Key: | XLKFDWLNVHKOCM-UHFFFAOYSA-N |