3-{4-[2-(2-allylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-allylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{4-[2-(2-allylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0054 |
| Compound Name: | 3-{4-[2-(2-allylphenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C27 H27 N3 O5 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OCCOc1ccccc1CC=C |
| Stereo: | ACHIRAL |
| logP: | 5.31 |
| logD: | 3.79 |
| logSw: | -6.01 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 158.93 |
| InChI Key: | HBRSGWUWTCNFAM-UHFFFAOYSA-N |