N-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoyl]-beta-alanine
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 4735-0106 |
| Compound Name: | N-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoyl]-beta-alanine |
| Molecular Weight: | 461.27 |
| Molecular Formula: | C20 H17 Br N2 O6 |
| Smiles: | C(CNC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccccc1[Br])=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6151 |
| logD: | -1.0806 |
| logSw: | -2.5483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.189 |
| InChI Key: | OVEOILRWGLHNHI-UHFFFAOYSA-N |