6-({[3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-({[3-(3,4-dimethoxyphenyl)-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: | L944-0026 |
| Compound Name: | 6-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 462.49 |
| Molecular Formula: | C22 H18 N6 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nc(CSC2=Nc3c(cn[nH]3)C(N2c2ccccc2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.2552 |
| logD: | 3.2533 |
| logSw: | -3.4522 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.03 |
| InChI Key: | RNIRCIRTDCYXNZ-UHFFFAOYSA-N |