4-{2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enamido}benzoic acid
Chemical Structure Depiction of
4-{2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enamido}benzoic acid
4-{2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | Y505-4718 |
| Compound Name: | 4-{2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enamido}benzoic acid |
| Molecular Weight: | 427.24 |
| Molecular Formula: | C21 H12 Cl2 N2 O4 |
| Smiles: | C(=C(/C#N)C(Nc1ccc(cc1)C(O)=O)=O)/c1ccc(c2cc(ccc2[Cl])[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.6961 |
| logD: | 3.3009 |
| logSw: | -5.694 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.364 |
| InChI Key: | UJZRPFORWFHKGH-UHFFFAOYSA-N |