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 |