2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0898 |
| Compound Name: | 2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 414.39 |
| Molecular Formula: | C21 H17 F3 N4 O2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)c(C)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.66 |
| logD: | 3.79 |
| logSw: | -5.47 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 145.73 |
| InChI Key: | RGEXZASTSQYJSA-UHFFFAOYSA-N |