2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0196 |
| Compound Name: | 2-cyano-3-{4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 377.37 |
| Molecular Formula: | C21 H16 F N3 O3 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(cc2)OCc2ccc(cc2)F)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.53 |
| logD: | 3.01 |
| logSw: | -5.49 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 155.68 |
| InChI Key: | WKEUJIOIYISZJN-UHFFFAOYSA-N |