2-cyano-3-{4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0329 |
| Compound Name: | 2-cyano-3-{4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C22 H19 N3 O3 |
| Smiles: | Cc1ccccc1COc1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.08 |
| logD: | 3.57 |
| logSw: | -5.95 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 155.13 |
| InChI Key: | MIKVQHLXIJQONL-UHFFFAOYSA-N |