3-{3-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}propanoic acid
Chemical Structure Depiction of
3-{3-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}propanoic acid
3-{3-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}propanoic acid
Compound characteristics
| Compound ID: | 8020-2712 |
| Compound Name: | 3-{3-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}propanoic acid |
| Molecular Weight: | 336.3 |
| Molecular Formula: | C15 H16 N2 O7 |
| Smiles: | COc1cc(Cc2nc(CCC(O)=O)on2)c(c2c1OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6043 |
| logD: | -1.2353 |
| logSw: | -1.6838 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.787 |
| InChI Key: | IMVKFPFKKLJNDB-UHFFFAOYSA-N |