2-cyano-3-{4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
Compound ID: | C482-0454 |
Compound Name: | 2-cyano-3-{4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
Molecular Weight: | 431.49 |
Molecular Formula: | C25 H25 N3 O4 |
Smiles: | Cc1ccc(C)c(c1)OCCCOc1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.88 |
logD: | 4.36 |
logSw: | -6.38 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 160 |
InChI Key: | QUGDCXCMIQEDSM-UHFFFAOYSA-N |