3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0868 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(cc2)OCc2ccc3c(c2)OCO3)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.43 |
| logD: | 2.91 |
| logSw: | -5.46 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 193.55 |
| InChI Key: | HQDBRCTWBDQUPK-UHFFFAOYSA-N |