3-[({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0517 |
| Compound Name: | 3-[({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 580.56 |
| Molecular Formula: | C25 H30 N4 O5 |
| Salt: | CF3COOH |
| Smiles: | C1CC(CN/C(=N/c2cccc(c2)C(O)=O)N2CCN(CC2)Cc2ccc3c(c2)OCO3)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0893 |
| logD: | 3.0893 |
| logSw: | -3.1024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.005 |
| InChI Key: | AUZGIBUCZXPHJZ-OAQYLSRUSA-N |