4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoic acid
Chemical Structure Depiction of
4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoic acid
4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | 3379-2164 |
| Compound Name: | 4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoic acid |
| Molecular Weight: | 420.38 |
| Molecular Formula: | C22 H16 N2 O7 |
| Smiles: | C1Oc2ccc(\C=C(/C(Nc3ccc(cc3)C(O)=O)=O)NC(c3ccco3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.2927 |
| logD: | 0.8975 |
| logSw: | -3.4263 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.356 |
| InChI Key: | SOOTYNXHYFRPCQ-UHFFFAOYSA-N |