4-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-0525 |
| Compound Name: | 4-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 601.02 |
| Molecular Formula: | C25 H31 Cl N4 O4 |
| Salt: | CF3COOH |
| Smiles: | C1CC(CN/C(=N/c2ccc(cc2)C(O)=O)N2CCN(CC2)CCOc2ccc(cc2)[Cl])OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8244 |
| logD: | 3.8244 |
| logSw: | -4.2893 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.285 |
| InChI Key: | SIYBMVNFIPTOCM-HSZRJFAPSA-N |