3-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoic acid
Chemical Structure Depiction of
3-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoic acid
3-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoic acid
Compound characteristics
Compound ID: | 3379-2321 |
Compound Name: | 3-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoic acid |
Molecular Weight: | 500.26 |
Molecular Formula: | C21 H14 Br N3 O7 |
Smiles: | C(=C(/C(Nc1cccc(c1)C(O)=O)=O)NC(c1ccc(o1)[Br])=O)/c1cccc(c1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.3448 |
logD: | 1.459 |
logSw: | -4.4572 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 115.97 |
InChI Key: | WDLFDKGOLPEZQG-UHFFFAOYSA-N |