4-[({4-[(2-fluorophenyl)methyl]piperazin-1-yl}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({4-[(2-fluorophenyl)methyl]piperazin-1-yl}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({4-[(2-fluorophenyl)methyl]piperazin-1-yl}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-6070 |
| Compound Name: | 4-[({4-[(2-fluorophenyl)methyl]piperazin-1-yl}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 574.58 |
| Molecular Formula: | C27 H29 F N4 O2 |
| Salt: | CF3COOH |
| Smiles: | C(CN\C(=N/c1ccc(cc1)C(O)=O)N1CCN(CC1)Cc1ccccc1F)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5951 |
| logD: | 4.5951 |
| logSw: | -4.3144 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.076 |
| InChI Key: | JCHHPMVOVWTYAR-UHFFFAOYSA-N |