4-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoic acid
Chemical Structure Depiction of
4-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoic acid
4-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | 3379-2213 |
| Compound Name: | 4-{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(Nc1ccc(cc1)C(O)=O)=O)NC(c1ccc(o1)[Br])=O)/c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0691 |
| logD: | 1.6739 |
| logSw: | -4.2817 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.97 |
| InChI Key: | GDLXSXGAMVWHAZ-UHFFFAOYSA-N |