3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0262 |
| Compound Name: | 3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-ethoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 538 |
| Molecular Formula: | C28 H28 Cl N3 O6 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc(c1OCCOc1ccc(CC=C)cc1OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.87 |
| logD: | 4.35 |
| logSw: | -6.88 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 174.7 |
| InChI Key: | NBEVJQBZVBYBIS-UHFFFAOYSA-N |