4-({(benzylamino)[4-(2,3-dimethylphenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-({(benzylamino)[4-(2,3-dimethylphenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
4-({(benzylamino)[4-(2,3-dimethylphenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-0009 |
| Compound Name: | 4-({(benzylamino)[4-(2,3-dimethylphenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 556.58 |
| Molecular Formula: | C27 H30 N4 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(\NCc1ccccc1)=N/c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.571 |
| logD: | 5.571 |
| logSw: | -5.345 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.654 |
| InChI Key: | KJSQLYAPXDGXTJ-UHFFFAOYSA-N |