5-(2-methylbenzamido)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(2-methylbenzamido)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(2-methylbenzamido)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1745 |
| Compound Name: | 5-(2-methylbenzamido)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 597.51 |
| Molecular Formula: | C26 H24 F3 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5087 |
| logD: | 3.258 |
| logSw: | -5.4112 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.15 |
| InChI Key: | SLDQADXJXRGFOB-UHFFFAOYSA-N |