3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0244 |
| Compound Name: | 3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 523.97 |
| Molecular Formula: | C27 H26 Cl N3 O6 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccc(CC=C)cc2OC)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.59 |
| logD: | 4.08 |
| logSw: | -6.59 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 178.31 |
| InChI Key: | FHLSQBFHFUPZIW-UHFFFAOYSA-N |