3-(3,4-dimethylphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}cyclobut-3-ene-1,2-dione
3-(3,4-dimethylphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0665 |
| Compound Name: | 3-(3,4-dimethylphenyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 414.43 |
| Molecular Formula: | C23 H21 F3 N2 O2 |
| Smiles: | Cc1ccc(cc1C)C1=C(C(C1=O)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.3703 |
| logD: | 5.3703 |
| logSw: | -5.5886 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.414 |
| InChI Key: | ZPDKOGINQZRNOP-UHFFFAOYSA-N |