2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | G889-0715 |
Compound Name: | 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 547.51 |
Molecular Formula: | C25 H24 F N3 O3 |
Salt: | CF3COOH |
Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1ccccc1F)=O |
Stereo: | ACHIRAL |
logP: | 5.0909 |
logD: | 2.8403 |
logSw: | -4.6948 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.849 |
InChI Key: | JALXFWXHDGLNPO-UHFFFAOYSA-N |