3-[([4-(2-fluorophenyl)piperazin-1-yl]{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([4-(2-fluorophenyl)piperazin-1-yl]{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([4-(2-fluorophenyl)piperazin-1-yl]{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | G696-0235 |
Compound Name: | 3-[([4-(2-fluorophenyl)piperazin-1-yl]{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 560.55 |
Molecular Formula: | C26 H27 F N4 O2 |
Salt: | CF3COOH |
Smiles: | Cc1ccc(CN/C(=N/c2cccc(c2)C(O)=O)N2CCN(CC2)c2ccccc2F)cc1 |
Stereo: | ACHIRAL |
logP: | 5.3183 |
logD: | 5.3183 |
logSw: | -5.2217 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 52.654 |
InChI Key: | QFPSWHLURCWFQI-UHFFFAOYSA-N |