ethyl 4-{5-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
ethyl 4-{5-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 0663-0163 |
| Compound Name: | ethyl 4-{5-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C24 H20 N2 O4 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(\C=C(/C#N)C(Nc2cccc(C)c2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6986 |
| logD: | 5.6977 |
| logSw: | -5.3997 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.709 |
| InChI Key: | VCOQANZUMMRDSI-UHFFFAOYSA-N |