2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0466 |
| Compound Name: | 2-cyano-3-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 495.5 |
| Molecular Formula: | C20 H16 F3 N5 O3 S2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)c(C)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.42 |
| logD: | 1.75 |
| logSw: | -4.23 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 198.53 |
| InChI Key: | VSTVVNBETMKLKE-UHFFFAOYSA-N |