2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(1,3-thiazol-2-yl)acrylamide
2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0286 |
| Compound Name: | 2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 416.42 |
| Molecular Formula: | C20 H15 F3 N4 O S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nccs2)=O)c(C)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.38 |
| logD: | 4.31 |
| logSw: | -5.36 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.46 |
| InChI Key: | HPBLHBRJSBJFPP-UHFFFAOYSA-N |