6-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}hexanoic acid
Chemical Structure Depiction of
6-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}hexanoic acid
6-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}hexanoic acid
Compound characteristics
| Compound ID: | 3379-2621 |
| Compound Name: | 6-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}hexanoic acid |
| Molecular Weight: | 414.41 |
| Molecular Formula: | C21 H22 N2 O7 |
| Smiles: | C(CCC(O)=O)CCNC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6635 |
| logD: | -1.1646 |
| logSw: | -1.8247 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.767 |
| InChI Key: | CLVOSQCVGXNPJB-UHFFFAOYSA-N |