3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0510 |
| Compound Name: | 3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571 |
| Molecular Formula: | C24 H29 Cl N4 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(\NCC1CCCO1)=N/c1cccc(c1)C(O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8196 |
| logD: | 1.626 |
| logSw: | -4.5593 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.308 |
| InChI Key: | XZYJBDZVCPLIOP-OAQYLSRUSA-N |