2-[2-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[2-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid
2-[2-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | 8020-0447 |
| Compound Name: | 2-[2-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C21 H17 N O6 |
| Smiles: | COc1cc(/C=C/c2cc(C(O)=O)c3ccccc3n2)c(c2c1OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9286 |
| logD: | -0.017 |
| logSw: | -4.0556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.033 |
| InChI Key: | SSBSRCKVAPPNHE-UHFFFAOYSA-N |