3-{2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enamido}benzoic acid
Chemical Structure Depiction of
3-{2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enamido}benzoic acid
3-{2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | 3379-2306 |
| Compound Name: | 3-{2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enamido}benzoic acid |
| Molecular Weight: | 455.26 |
| Molecular Formula: | C21 H15 Br N2 O5 |
| Smiles: | C(=C(/C(Nc1cccc(c1)C(O)=O)=O)NC(c1ccc(o1)[Br])=O)/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5408 |
| logD: | 1.6549 |
| logSw: | -4.4408 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.588 |
| InChI Key: | BTKMNVSLRRQXSP-UHFFFAOYSA-N |