3-({(benzylamino)[4-(2-chlorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-({(benzylamino)[4-(2-chlorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
3-({(benzylamino)[4-(2-chlorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5709 |
| Compound Name: | 3-({(benzylamino)[4-(2-chlorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 562.98 |
| Molecular Formula: | C25 H25 Cl N4 O2 |
| Salt: | CF3COOH |
| Smiles: | C(c1ccccc1)N\C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.391 |
| logD: | 5.391 |
| logSw: | -5.5514 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.654 |
| InChI Key: | FTHDYOPKTRWNBD-UHFFFAOYSA-N |