4-[({[(3-methoxyphenyl)methyl]amino}[4-(4-nitrophenyl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({[(3-methoxyphenyl)methyl]amino}[4-(4-nitrophenyl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({[(3-methoxyphenyl)methyl]amino}[4-(4-nitrophenyl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-5789 |
| Compound Name: | 4-[({[(3-methoxyphenyl)methyl]amino}[4-(4-nitrophenyl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 603.55 |
| Molecular Formula: | C26 H27 N5 O5 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN\C(=N/c2ccc(cc2)C(O)=O)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5919 |
| logD: | 4.5919 |
| logSw: | -4.3365 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.88 |
| InChI Key: | NNIODNADNDDUNX-UHFFFAOYSA-N |