2-(2-cyano-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}prop-2-enamido)benzoic acid
Chemical Structure Depiction of
2-(2-cyano-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}prop-2-enamido)benzoic acid
2-(2-cyano-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}prop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 3681-3708 |
| Compound Name: | 2-(2-cyano-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}prop-2-enamido)benzoic acid |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C24 H18 N2 O6 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(\C=C(/C#N)C(Nc2ccccc2C(O)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5235 |
| logD: | 1.1063 |
| logSw: | -5.2614 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.42 |
| InChI Key: | YVVCJYMDOKSLKX-UHFFFAOYSA-N |