2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Compound characteristics
Compound ID: | C482-0099 |
Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-{1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide |
Molecular Weight: | 426.47 |
Molecular Formula: | C25 H22 N4 O3 |
Smiles: | Cc1ccc(cc1)OCCn1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 5.23 |
logD: | 3.29 |
logSw: | -6.08 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 153.73 |
InChI Key: | PZZHCVSIWNIEIE-UHFFFAOYSA-N |