5-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
5-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate
5-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9569 |
| Compound Name: | 5-[2-cyano-3-(2-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(Nc2ccccc2F)=O)cc1OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8564 |
| logD: | 5.769 |
| logSw: | -6.7541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.511 |
| InChI Key: | VHFAJFFKPPDMLK-UHFFFAOYSA-N |