3-(2H-1,3-benzodioxol-5-yl)-5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | L106-0056 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]-1,2,4-oxadiazole |
| Molecular Weight: | 404.4 |
| Molecular Formula: | C18 H16 N2 O7 S |
| Smiles: | COc1ccc(cc1OC)S(Cc1nc(c2ccc3c(c2)OCO3)no1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7641 |
| logD: | 2.7641 |
| logSw: | -3.2625 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.723 |
| InChI Key: | HQLRVAJMNNMWFP-UHFFFAOYSA-N |