4-{3-(3-bromophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoic acid
Chemical Structure Depiction of
4-{3-(3-bromophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoic acid
4-{3-(3-bromophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | 3688-0199 |
| Compound Name: | 4-{3-(3-bromophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enamido}benzoic acid |
| Molecular Weight: | 455.26 |
| Molecular Formula: | C21 H15 Br N2 O5 |
| Smiles: | C(=C(/C(Nc1ccc(cc1)C(O)=O)=O)NC(c1ccco1)=O)\c1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1782 |
| logD: | 1.783 |
| logSw: | -4.3227 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.241 |
| InChI Key: | CAZLRURXQLUBED-UHFFFAOYSA-N |