3-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0168 |
| Compound Name: | 3-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 468.31 |
| Molecular Formula: | C22 H18 Br N3 O4 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2)[Br])\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.06 |
| logD: | 3.54 |
| logSw: | -5.97 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.8 |
| InChI Key: | VICHWKCATSWDEJ-UHFFFAOYSA-N |