3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0192 |
| Compound Name: | 3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 486.3 |
| Molecular Formula: | C22 H17 Br F N3 O4 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Br])OCc2ccccc2F)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.26 |
| logD: | 3.74 |
| logSw: | -6.35 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 155.39 |
| InChI Key: | JYCQTHAXTQEAHZ-UHFFFAOYSA-N |