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 |