4-{4-[(2H-1,3-benzodioxol-5-yl)oxy]anilino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)oxy]anilino}-4-oxobutanoic acid
4-{4-[(2H-1,3-benzodioxol-5-yl)oxy]anilino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8018-6648 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)oxy]anilino}-4-oxobutanoic acid |
| Molecular Weight: | 329.31 |
| Molecular Formula: | C17 H15 N O6 |
| Smiles: | C(CC(Nc1ccc(cc1)Oc1ccc2c(c1)OCO2)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.158 |
| logD: | -0.7914 |
| logSw: | -2.9971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.635 |
| InChI Key: | SWJIBJMKYFCRKI-UHFFFAOYSA-N |