3-{3-bromo-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-bromo-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0306 |
| Compound Name: | 3-{3-bromo-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 532.78 |
| Molecular Formula: | C23 H19 Br Cl N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Br])OCCOc2ccccc2[Cl])OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.35 |
| logD: | 3.83 |
| logSw: | -6.43 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.03 |
| InChI Key: | AKVRVZMLMBLTAA-UHFFFAOYSA-N |