3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]benzoic acid
3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 3379-2240 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]benzoic acid |
| Molecular Weight: | 509.31 |
| Molecular Formula: | C24 H17 Br N2 O6 |
| Smiles: | C1Oc2ccc(\C=C(/C(Nc3cccc(c3)C(O)=O)=O)NC(c3ccc(cc3)[Br])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 5.1298 |
| logD: | 2.244 |
| logSw: | -5.2379 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.778 |
| InChI Key: | CFOTZDPHOSPKKA-UHFFFAOYSA-N |