4-[({4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-5957 |
| Compound Name: | 4-[({4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}[(2-phenylethyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 565.59 |
| Molecular Formula: | C25 H33 N5 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)C(/NCCc1ccccc1)=N/c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0073 |
| logD: | 3.0073 |
| logSw: | -3.1251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.661 |
| InChI Key: | BRVPDJWKMABOKE-UHFFFAOYSA-N |