ethyl 4-{5-[2-cyano-3-(4-methyl-2-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[2-cyano-3-(4-methyl-2-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
ethyl 4-{5-[2-cyano-3-(4-methyl-2-nitroanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3681-3096 |
| Compound Name: | ethyl 4-{5-[2-cyano-3-(4-methyl-2-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(Nc2ccc(C)cc2[N+]([O-])=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8254 |
| logD: | 4.3542 |
| logSw: | -5.3899 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.092 |
| InChI Key: | BMCUBQOJMICDEF-UHFFFAOYSA-N |