3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoic acid
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoic acid
3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoic acid
Compound characteristics
| Compound ID: | 3633-0058 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoic acid |
| Molecular Weight: | 380.15 |
| Molecular Formula: | C15 H10 Br N O6 |
| Smiles: | C1Oc2ccc(\C=C(/C(O)=O)NC(c3ccc(o3)[Br])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 2.5234 |
| logD: | -0.8032 |
| logSw: | -2.8218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.613 |
| InChI Key: | OAIUKQWCFGTWIH-UHFFFAOYSA-N |