4-({[4-(4-nitrophenyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-({[4-(4-nitrophenyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
4-({[4-(4-nitrophenyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-5788 |
| Compound Name: | 4-({[4-(4-nitrophenyl)piperazin-1-yl][(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.56 |
| Molecular Formula: | C26 H27 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | C(CN\C(=N/c1ccc(cc1)C(O)=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6669 |
| logD: | 4.6669 |
| logSw: | -4.4809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.178 |
| InChI Key: | WSJJLPZVOCODGY-UHFFFAOYSA-N |