ethyl 4-{5-[2-cyano-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[2-cyano-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
ethyl 4-{5-[2-cyano-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3681-3504 |
| Compound Name: | ethyl 4-{5-[2-cyano-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C24 H19 N3 O6 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(\C=C(/C#N)C(Nc2cc(ccc2C)[N+]([O-])=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3327 |
| logD: | 4.8278 |
| logSw: | -5.2942 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.393 |
| InChI Key: | QESCJCNUBFGGLW-UHFFFAOYSA-N |