3-{3-bromo-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-bromo-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0700 |
| Compound Name: | 3-{3-bromo-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 482.33 |
| Molecular Formula: | C23 H20 Br N3 O4 |
| Smiles: | Cc1ccccc1OCCOc1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4 |
| logD: | 3.89 |
| logSw: | -6.21 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.99 |
| InChI Key: | URNLSHHQPMCHJF-UHFFFAOYSA-N |