4-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-0370 |
| Compound Name: | 4-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.03 |
| Molecular Formula: | C27 H29 Cl N4 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(\NCc1cccc(c1)OC)=N/c1ccc(cc1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8273 |
| logD: | 5.8273 |
| logSw: | -5.7569 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.198 |
| InChI Key: | QYMHWDBYNQMUHB-UHFFFAOYSA-N |