3-[({[(4-methylphenyl)methyl]amino}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[({[(4-methylphenyl)methyl]amino}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[({[(4-methylphenyl)methyl]amino}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5846 |
| Compound Name: | 3-[({[(4-methylphenyl)methyl]amino}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 610.56 |
| Molecular Formula: | C27 H27 F3 N4 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(CN/C(=N/c2cccc(c2)C(O)=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9405 |
| logD: | 5.9405 |
| logSw: | -5.4886 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.955 |
| InChI Key: | BVZFKDNPNGNIHB-UHFFFAOYSA-N |