2-{3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoic acid
Chemical Structure Depiction of
2-{3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoic acid
2-{3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | 3681-3716 |
| Compound Name: | 2-{3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoic acid |
| Molecular Weight: | 437.79 |
| Molecular Formula: | C21 H12 Cl N3 O6 |
| Smiles: | C(=C(/C#N)C(Nc1ccccc1C(O)=O)=O)/c1ccc(c2cc(ccc2[Cl])[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.2715 |
| logD: | 0.8543 |
| logSw: | -5.4568 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.048 |
| InChI Key: | MLHYMIKCHGPWBX-UHFFFAOYSA-N |