ethyl 4-{5-[2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
ethyl 4-{5-[2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 1187-2029 |
| Compound Name: | ethyl 4-{5-[2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C25 H22 N2 O4 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(/C=C(/C#N)C(Nc2ccc(C)cc2C)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0195 |
| logD: | 6.0165 |
| logSw: | -5.36 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.011 |
| InChI Key: | PSKFTFPHGSTJAT-UHFFFAOYSA-N |