3-[([4-(4-fluorophenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([4-(4-fluorophenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([4-(4-fluorophenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0376 |
| Compound Name: | 3-[([4-(4-fluorophenyl)piperazin-1-yl]{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 576.55 |
| Molecular Formula: | C26 H27 F N4 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN/C(=N/c2cccc(c2)C(O)=O)N2CCN(CC2)c2ccc(cc2)F)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9643 |
| logD: | 4.9643 |
| logSw: | -4.5651 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.499 |
| InChI Key: | ABGRMCZYNOMJLE-UHFFFAOYSA-N |