3-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0166 |
| Compound Name: | 3-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C23 H20 Cl N3 O4 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.85 |
| logD: | 3.33 |
| logSw: | -5.74 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 161.85 |
| InChI Key: | QLKTVMRGNXQZFJ-UHFFFAOYSA-N |