3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0438 |
| Compound Name: | 3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.99 |
| Molecular Formula: | C26 H26 Cl F N4 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(\NCc1ccc(cc1)F)=N/c1cccc(c1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0281 |
| logD: | 6.0281 |
| logSw: | -5.9317 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.654 |
| InChI Key: | XIKJQKPSTNKJFG-UHFFFAOYSA-N |