4-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
4-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-0298 |
| Compound Name: | 4-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 591.03 |
| Molecular Formula: | C27 H29 Cl N4 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(\NCCc1ccccc1)=N/c1ccc(cc1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9023 |
| logD: | 5.9023 |
| logSw: | -5.7235 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.495 |
| InChI Key: | PIILAPDBGKRAGX-UHFFFAOYSA-N |