4-{5-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
4-{5-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | Y505-4717 |
| Compound Name: | 4-{5-[3-(4-chloroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid |
| Molecular Weight: | 392.8 |
| Molecular Formula: | C21 H13 Cl N2 O4 |
| Smiles: | C(=C(/C#N)C(Nc1ccc(cc1)[Cl])=O)/c1ccc(c2ccc(cc2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.1802 |
| logD: | 1.4524 |
| logSw: | -5.5249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.364 |
| InChI Key: | RYFQWQOCVLBIIF-UHFFFAOYSA-N |