4-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-bromobenzamido)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-bromobenzamido)prop-2-enamido]benzoic acid
4-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-bromobenzamido)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 3802-0707 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-2-(3-bromobenzamido)prop-2-enamido]benzoic acid |
| Molecular Weight: | 509.31 |
| Molecular Formula: | C24 H17 Br N2 O6 |
| Smiles: | C1Oc2ccc(/C=C(/C(Nc3ccc(cc3)C(O)=O)=O)NC(c3cccc(c3)[Br])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.8691 |
| logD: | 2.4739 |
| logSw: | -4.6247 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.778 |
| InChI Key: | QXSCOGWIENIIBN-UHFFFAOYSA-N |