3-[({[(4-methylphenyl)methyl]amino}[4-(4-nitrophenyl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[({[(4-methylphenyl)methyl]amino}[4-(4-nitrophenyl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[({[(4-methylphenyl)methyl]amino}[4-(4-nitrophenyl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5852 |
| Compound Name: | 3-[({[(4-methylphenyl)methyl]amino}[4-(4-nitrophenyl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.56 |
| Molecular Formula: | C26 H27 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(CN/C(=N/c2cccc(c2)C(O)=O)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.187 |
| logD: | 5.187 |
| logSw: | -4.839 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.336 |
| InChI Key: | JGJKAJILRQSRCP-UHFFFAOYSA-N |