3-{4-[2-(4-bromophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-bromophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{4-[2-(4-bromophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0048 |
| Compound Name: | 3-{4-[2-(4-bromophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 498.33 |
| Molecular Formula: | C23 H20 Br N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2ccc(cc2)[Br])\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.05 |
| logD: | 3.53 |
| logSw: | -6 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.12 |
| InChI Key: | RSWWLQQYMVJOTR-UHFFFAOYSA-N |