2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0330 |
| Compound Name: | 2-cyano-3-{4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C22 H19 N3 O3 |
| Smiles: | Cc1cccc(COc2ccc(/C=C(/C#N)C(Nc3cc(C)on3)=O)cc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2 |
| logD: | 3.68 |
| logSw: | -6.05 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 149.22 |
| InChI Key: | PHDINYXLNCHENE-UHFFFAOYSA-N |