2-{2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enamido}benzoic acid
Chemical Structure Depiction of
2-{2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enamido}benzoic acid
2-{2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | 3681-3710 |
| Compound Name: | 2-{2-cyano-3-[5-(3,4-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(Nc1ccccc1C(O)=O)=O)/c1ccc(c2ccc(c(c2)[Cl])[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 6.111 |
| logD: | 1.6937 |
| logSw: | -5.7588 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.666 |
| InChI Key: | URDBQGICHOETNO-UKTHLTGXSA-N |