3-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
3-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
3-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9567 |
| Compound Name: | 3-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]phenyl naphthalene-1-carboxylate |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C27 H17 F N2 O3 |
| Smiles: | C(=C(/C#N)C(Nc1ccccc1F)=O)/c1cccc(c1)OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6329 |
| logD: | 5.5454 |
| logSw: | -6.974 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.794 |
| InChI Key: | KIBIKTAUMKGMSF-UHFFFAOYSA-N |