3-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0749 |
| Compound Name: | 3-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 411.82 |
| Molecular Formula: | C21 H15 Cl F N3 O3 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)[Cl])OCc2ccc(cc2)F)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.07 |
| logD: | 3.55 |
| logSw: | -5.99 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 146.87 |
| InChI Key: | FTIWKMVCANFYGA-UHFFFAOYSA-N |