4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl 4-methoxybenzoate
Chemical Structure Depiction of
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl 4-methoxybenzoate
4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8013-9606 |
| Compound Name: | 4-[2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl 4-methoxybenzoate |
| Molecular Weight: | 517.49 |
| Molecular Formula: | C27 H23 N3 O8 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2ccc(cc2OC)[N+]([O-])=O)=O)ccc1OC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7506 |
| logD: | 2.9035 |
| logSw: | -4.6318 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.919 |
| InChI Key: | FFQMRLZNMNPDPL-UHFFFAOYSA-N |