3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromo-5-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromo-5-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromo-5-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0874 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromo-5-ethoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 526.34 |
| Molecular Formula: | C24 H20 Br N3 O6 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc(c1OCc1ccc2c(c1)OCO2)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.38 |
| logD: | 3.86 |
| logSw: | -6.26 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 188.43 |
| InChI Key: | YEERIJXJXHAHTO-UHFFFAOYSA-N |