ethyl 3-(2-cyano-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}prop-2-enamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-cyano-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}prop-2-enamido)benzoate
ethyl 3-(2-cyano-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}prop-2-enamido)benzoate
Compound characteristics
| Compound ID: | 2332-0885 |
| Compound Name: | ethyl 3-(2-cyano-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}prop-2-enamido)benzoate |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C26 H22 N2 O6 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(\C=C(/C#N)C(Nc2cccc(c2)C(=O)OCC)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1206 |
| logD: | 6.1157 |
| logSw: | -5.5221 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.463 |
| InChI Key: | XHBVFKAYEYUCBA-UHFFFAOYSA-N |