3-(2H-1,3-benzodioxol-5-yl)-5-{5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-{5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-{5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | F838-0095 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-{5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole |
| Molecular Weight: | 470.46 |
| Molecular Formula: | C22 H18 N2 O8 S |
| Smiles: | COc1ccc(cc1OC)S(Cc1ccc(c2nc(c3ccc4c(c3)OCO4)no2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8531 |
| logD: | 3.8531 |
| logSw: | -4.1441 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 100.627 |
| InChI Key: | XBUIQZLNEORTKX-UHFFFAOYSA-N |