3-[3-(trifluoromethyl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[3-(trifluoromethyl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
3-[3-(trifluoromethyl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E882-0419 |
| Compound Name: | 3-[3-(trifluoromethyl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 359.35 |
| Molecular Formula: | C20 H16 F3 N O2 |
| Smiles: | Cc1cc(C)c(cc1C)C1=C(C(C1=O)=O)Nc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.637 |
| logD: | 5.591 |
| logSw: | -5.6221 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | VKVPHPXVOCWUJN-UHFFFAOYSA-N |