4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl naphthalene-1-carboxylate
4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9568 |
| Compound Name: | 4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl naphthalene-1-carboxylate |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C29 H21 F N2 O4 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2ccccc2F)=O)ccc1OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8513 |
| logD: | 5.7638 |
| logSw: | -6.6309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.091 |
| InChI Key: | ZDUYBAISHSNIQL-UHFFFAOYSA-N |