4-[([4-(4-fluorophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[([4-(4-fluorophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[([4-(4-fluorophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-0516 |
| Compound Name: | 4-[([4-(4-fluorophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 540.51 |
| Molecular Formula: | C23 H27 F N4 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CC(CN/C(=N/c2ccc(cc2)C(O)=O)N2CCN(CC2)c2ccc(cc2)F)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4187 |
| logD: | 3.4187 |
| logSw: | -3.4611 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.609 |
| InChI Key: | KBIKYVDBEQMYAB-OAQYLSRUSA-N |