3-[3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
Chemical Structure Depiction of
3-[3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
3-[3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
Compound characteristics
| Compound ID: | 8020-2313 |
| Compound Name: | 3-[3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid |
| Molecular Weight: | 322.27 |
| Molecular Formula: | C14 H14 N2 O7 |
| Smiles: | COc1cc(c(c2c1OCO2)OC)c1nc(CCC(O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 1.8364 |
| logD: | -1.0032 |
| logSw: | -2.0983 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.797 |
| InChI Key: | QJJONIZUNHLBGU-UHFFFAOYSA-N |