4-[({4-[(2-fluorophenyl)methyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({4-[(2-fluorophenyl)methyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({4-[(2-fluorophenyl)methyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-6071 |
| Compound Name: | 4-[({4-[(2-fluorophenyl)methyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 590.57 |
| Molecular Formula: | C27 H29 F N4 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN\C(=N/c2ccc(cc2)C(O)=O)N2CCN(CC2)Cc2ccccc2F)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5202 |
| logD: | 4.5202 |
| logSw: | -4.2703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.779 |
| InChI Key: | CGLLVTGJFXCNAA-UHFFFAOYSA-N |