3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0266 |
| Compound Name: | 3-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 495.96 |
| Molecular Formula: | C26 H26 Cl N3 O5 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc(c1OCCOc1c(C)cccc1C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.13 |
| logD: | 4.61 |
| logSw: | -7.31 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.87 |
| InChI Key: | ZJZFETPAOVFJEN-UHFFFAOYSA-N |