4-({[4-(ethoxycarbonyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-({[4-(ethoxycarbonyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
4-({[4-(ethoxycarbonyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-5778 |
| Compound Name: | 4-({[4-(ethoxycarbonyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 538.52 |
| Molecular Formula: | C23 H28 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)C(/NCCc1ccccc1)=N/c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5221 |
| logD: | 3.5221 |
| logSw: | -3.4401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.316 |
| InChI Key: | LKKFWNHKPPEEKG-UHFFFAOYSA-N |