5-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate
Chemical Structure Depiction of
5-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate
5-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8013-9566 |
| Compound Name: | 5-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C25 H19 F N2 O5 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1cc(\C=C(/C#N)C(Nc2ccccc2F)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.7205 |
| logD: | 4.633 |
| logSw: | -4.63 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.327 |
| InChI Key: | YJKFEUXTHZOPKZ-UHFFFAOYSA-N |