ethyl 4-{5-[3-(2-chloro-5-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[3-(2-chloro-5-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
ethyl 4-{5-[3-(2-chloro-5-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3681-2892 |
| Compound Name: | ethyl 4-{5-[3-(2-chloro-5-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate |
| Molecular Weight: | 465.85 |
| Molecular Formula: | C23 H16 Cl N3 O6 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(\C=C(/C#N)C(Nc2cc(ccc2[Cl])[N+]([O-])=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7331 |
| logD: | 3.7402 |
| logSw: | -6.0658 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.393 |
| InChI Key: | FEDHXSXZRBVLHJ-UHFFFAOYSA-N |