3-(2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoic acid
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoic acid
3-(2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoic acid
Compound characteristics
| Compound ID: | 0922-0096 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoic acid |
| Molecular Weight: | 401.37 |
| Molecular Formula: | C20 H19 N O8 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NC(=C\c1ccc2c(c1)OCO2)\C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1668 |
| logD: | -1.9346 |
| logSw: | -3.0041 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.664 |
| InChI Key: | CFPOFJWYQABITJ-UHFFFAOYSA-N |