2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 5965-0217 |
Compound Name: | 2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide |
Molecular Weight: | 406.51 |
Molecular Formula: | C22 H22 N4 O2 S |
Smiles: | CCOc1ccc(cc1)n1c(C)cc(/C=C(/C#N)C(Nc2ncc(C)s2)=O)c1C |
Stereo: | ACHIRAL |
logP: | 4.85 |
logD: | 4.36 |
logSw: | -5.77 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 130.75 |
InChI Key: | TUJUGOPXQOGKTK-UHFFFAOYSA-N |