3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoic acid
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoic acid
3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoic acid
Compound characteristics
| Compound ID: | 3379-3160 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoic acid |
| Molecular Weight: | 390.19 |
| Molecular Formula: | C17 H12 Br N O5 |
| Smiles: | C1Oc2ccc(/C=C(/C(O)=O)NC(c3ccccc3[Br])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 2.6954 |
| logD: | -1.4061 |
| logSw: | -3.3293 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.687 |
| InChI Key: | KARCWJIHYZRGEU-UHFFFAOYSA-N |