4-{[{[(oxolan-2-yl)methyl]amino}(4-phenylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{[{[(oxolan-2-yl)methyl]amino}(4-phenylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
4-{[{[(oxolan-2-yl)methyl]amino}(4-phenylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-0524 |
| Compound Name: | 4-{[{[(oxolan-2-yl)methyl]amino}(4-phenylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 522.52 |
| Molecular Formula: | C23 H28 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CC(CN/C(=N/c2ccc(cc2)C(O)=O)N2CCN(CC2)c2ccccc2)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2681 |
| logD: | 3.2681 |
| logSw: | -3.2387 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.609 |
| InChI Key: | YCEIBLZHEWORPQ-OAQYLSRUSA-N |