2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 5965-0350 |
Compound Name: | 2-cyano-3-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
Molecular Weight: | 422.5 |
Molecular Formula: | C22 H22 N4 O3 S |
Smiles: | Cc1csc(NC(C(=C/c2cc(C)n(c3cc(ccc3OC)OC)c2C)\C#N)=O)n1 |
Stereo: | ACHIRAL |
logP: | 4.04 |
logD: | 3.55 |
logSw: | -5.22 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 125.64 |
InChI Key: | PACYCNCKDDKXOP-UHFFFAOYSA-N |