5-(2-fluorobenzamido)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(2-fluorobenzamido)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(2-fluorobenzamido)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1744 |
| Compound Name: | 5-(2-fluorobenzamido)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 601.48 |
| Molecular Formula: | C25 H21 F4 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1cccc(c1)C(F)(F)F)c1ccc(cc1C(O)=O)NC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2727 |
| logD: | 3.022 |
| logSw: | -5.2908 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.15 |
| InChI Key: | JVBVAYBLSNAGET-UHFFFAOYSA-N |