2-{3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoic acid
Chemical Structure Depiction of
2-{3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoic acid
2-{3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | 3681-3706 |
| Compound Name: | 2-{3-[5-(4-chloro-2-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(c2ccc(cc2[N+]([O-])=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.1052 |
| logD: | 0.688 |
| logSw: | -5.011 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.747 |
| InChI Key: | NDXDZAFTXXGXJF-UHFFFAOYSA-N |