2,2'-{1,4-phenylenebis[(2,5-dioxopyrrolidine-1,3-diyl)sulfanediyl]}bis[6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile]
Chemical Structure Depiction of
2,2'-{1,4-phenylenebis[(2,5-dioxopyrrolidine-1,3-diyl)sulfanediyl]}bis[6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile]
2,2'-{1,4-phenylenebis[(2,5-dioxopyrrolidine-1,3-diyl)sulfanediyl]}bis[6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile]
Compound characteristics
| Compound ID: | 8010-5413 |
| Compound Name: | 2,2'-{1,4-phenylenebis[(2,5-dioxopyrrolidine-1,3-diyl)sulfanediyl]}bis[6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile] |
| Molecular Weight: | 840.82 |
| Molecular Formula: | C36 H18 F6 N6 O4 S4 |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)N1C(CC(C1=O)Sc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F)=O)=O)Sc1c(C#N)c(cc(c2cccs2)n1)C(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1134 |
| logD: | 7.1134 |
| logSw: | -6.1074 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 111.177 |
| InChI Key: | JUDWGFOXGOUTPJ-UHFFFAOYSA-N |