3-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0347 |
| Compound Name: | 3-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C23 H20 Cl N3 O4 |
| Smiles: | Cc1cccc(COc2c(cc(/C=C(/C#N)C(Nc3cc(C)on3)=O)cc2[Cl])OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.98 |
| logD: | 4.46 |
| logSw: | -7.16 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.87 |
| InChI Key: | PCTOEOODTMXORQ-UHFFFAOYSA-N |