2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(4-methyl-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~-(4-methyl-1,3-thiazol-2-yl)acrylamide
2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0422 |
| Compound Name: | 2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 430.45 |
| Molecular Formula: | C21 H17 F3 N4 O S |
| Smiles: | Cc1csc(NC(C(=C/c2cc(C)n(c3cccc(c3)C(F)(F)F)c2C)\C#N)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.78 |
| logD: | 4.29 |
| logSw: | -5.68 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.24 |
| InChI Key: | XHZIETHMEXWJJC-UHFFFAOYSA-N |