4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl naphthalene-1-carboxylate
Chemical Structure Depiction of
4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl naphthalene-1-carboxylate
4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl naphthalene-1-carboxylate
Compound characteristics
| Compound ID: | 8013-9413 |
| Compound Name: | 4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl naphthalene-1-carboxylate |
| Molecular Weight: | 531.39 |
| Molecular Formula: | C29 H20 Cl2 N2 O4 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2cc(cc(c2)[Cl])[Cl])=O)ccc1OC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4034 |
| logD: | 6.1569 |
| logSw: | -6.6003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.789 |
| InChI Key: | DTONBCPRDAMADL-UHFFFAOYSA-N |