3-[([4-(4-nitrophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([4-(4-nitrophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([4-(4-nitrophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | G696-6032 |
Compound Name: | 3-[([4-(4-nitrophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 567.52 |
Molecular Formula: | C23 H27 N5 O5 |
Salt: | CF3COOH |
Smiles: | C1CC(CN/C(=N/c2cccc(c2)C(O)=O)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)OC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5842 |
logD: | 0.3906 |
logSw: | -3.6002 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.991 |
InChI Key: | XSGICSLYKGJQRT-OAQYLSRUSA-N |