4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enamido]butanoic acid
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enamido]butanoic acid
4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enamido]butanoic acid
Compound characteristics
| Compound ID: | 4735-0107 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enamido]butanoic acid |
| Molecular Weight: | 475.29 |
| Molecular Formula: | C21 H19 Br N2 O6 |
| Smiles: | C(CC(O)=O)CNC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.029 |
| logD: | -0.7919 |
| logSw: | -2.9074 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.189 |
| InChI Key: | BOIUKKRQCKEKHZ-UHFFFAOYSA-N |