5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate
5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9581 |
| Compound Name: | 5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate |
| Molecular Weight: | 466.47 |
| Molecular Formula: | C28 H19 F N2 O4 |
| Smiles: | COc1ccc(\C=C(/C#N)C(Nc2ccc(cc2)F)=O)cc1OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9072 |
| logD: | 5.8345 |
| logSw: | -6.7541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.209 |
| InChI Key: | CFUIBPWYQNVYSG-UHFFFAOYSA-N |