3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0052 |
| Compound Name: | 3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C25 H23 N3 O4 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(cc2)OCCOc2ccccc2CC=C)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 3.99 |
| logSw: | -6.33 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.8 |
| InChI Key: | CGIAVBPVPJCEDR-UHFFFAOYSA-N |