4-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
4-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl naphthalene-1-carboxylate
4-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9477 |
| Compound Name: | 4-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl naphthalene-1-carboxylate |
| Molecular Weight: | 564.95 |
| Molecular Formula: | C30 H20 Cl F3 N2 O4 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2cc(ccc2[Cl])C(F)(F)F)=O)ccc1OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2961 |
| logD: | 5.5345 |
| logSw: | -6.4664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.091 |
| InChI Key: | NTMQCXDAPCHCTN-UHFFFAOYSA-N |