4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}butanoic acid
Chemical Structure Depiction of
4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}butanoic acid
4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}butanoic acid
Compound characteristics
| Compound ID: | 5622-0077 |
| Compound Name: | 4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}butanoic acid |
| Molecular Weight: | 386.36 |
| Molecular Formula: | C19 H18 N2 O7 |
| Smiles: | C(CC(O)=O)CNC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9922 |
| logD: | -1.8287 |
| logSw: | -1.7525 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.767 |
| InChI Key: | HENVUSVJVSGYIA-UHFFFAOYSA-N |