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 |