3-[({[(oxolan-2-yl)methyl]amino}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid
Chemical Structure Depiction of
3-[({[(oxolan-2-yl)methyl]amino}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid
3-[({[(oxolan-2-yl)methyl]amino}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | G696-6025 |
| Compound Name: | 3-[({[(oxolan-2-yl)methyl]amino}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid |
| Molecular Weight: | 590.52 |
| Molecular Formula: | C24 H27 F3 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CC(CN/C(=N/c2cccc(c2)C(O)=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3377 |
| logD: | 1.1441 |
| logSw: | -4.1921 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.609 |
| InChI Key: | QZDBCUWHMLUAQQ-OAQYLSRUSA-N |