2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | C301-4734 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole |
| Molecular Weight: | 340.33 |
| Molecular Formula: | C18 H16 N2 O5 |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(Cc2ccc3c(c2)OCO3)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.3598 |
| logD: | 3.3598 |
| logSw: | -3.3974 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.351 |
| InChI Key: | DXTZOTDWNCWBRU-UHFFFAOYSA-N |