3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromo-5-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromo-5-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromo-5-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0873 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-bromo-5-methoxyphenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 512.32 |
| Molecular Formula: | C23 H18 Br N3 O6 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Br])OCc2ccc3c(c2)OCO3)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.11 |
| logD: | 3.59 |
| logSw: | -6.17 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 192.04 |
| InChI Key: | UTGSULUJHMDLPO-UHFFFAOYSA-N |