3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0370 |
| Compound Name: | 3-[([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/c1cccc(c1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0963 |
| logD: | 6.0963 |
| logSw: | -5.9034 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.198 |
| InChI Key: | XHOWWTPNJSAWOG-UHFFFAOYSA-N |