3-[([4-(4-chlorophenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([4-(4-chlorophenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([4-(4-chlorophenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0431 |
| Compound Name: | 3-[([4-(4-chlorophenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 580.97 |
| Molecular Formula: | C25 H24 Cl F N4 O2 |
| Salt: | CF3COOH |
| Smiles: | C(c1ccc(cc1)F)N/C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4617 |
| logD: | 5.4617 |
| logSw: | -5.8196 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.955 |
| InChI Key: | OJMRWTLNJHEJLI-UHFFFAOYSA-N |