2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0335 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C23 H21 N3 O4 |
| Smiles: | Cc1ccccc1COc1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.81 |
| logD: | 3.29 |
| logSw: | -5.66 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 166.33 |
| InChI Key: | YRJYSOBYKWGWQO-UHFFFAOYSA-N |