3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0226 |
| Compound Name: | 3-[([4-(5-chloro-2-methylphenyl)piperazin-1-yl]{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 591.03 |
| Molecular Formula: | C27 H29 Cl N4 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(CN/C(=N/c2cccc(c2)C(O)=O)N2CCN(CC2)c2cc(ccc2C)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4224 |
| logD: | 6.4224 |
| logSw: | -6.0373 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.654 |
| InChI Key: | URPHUMVUTHZZNV-UHFFFAOYSA-N |