3-(4-chlorophenyl)-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
3-(4-chlorophenyl)-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0011 |
| Compound Name: | 3-(4-chlorophenyl)-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 351.71 |
| Molecular Formula: | C17 H9 Cl F3 N O2 |
| Smiles: | c1cc(cc(c1)NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl])C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.8208 |
| logD: | 4.7527 |
| logSw: | -5.06 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | SHPRURWHSSKAEK-UHFFFAOYSA-N |