4-({(benzylamino)[4-(3-chlorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-({(benzylamino)[4-(3-chlorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
4-({(benzylamino)[4-(3-chlorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-0008 |
| Compound Name: | 4-({(benzylamino)[4-(3-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/c1ccc(cc1)C(O)=O)N1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0311 |
| logD: | 5.0311 |
| logSw: | -4.925 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.955 |
| InChI Key: | TXHWRYNXFDWQSX-UHFFFAOYSA-N |