4-[({[(3-methoxyphenyl)methyl]amino}{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({[(3-methoxyphenyl)methyl]amino}{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({[(3-methoxyphenyl)methyl]amino}{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-5958 |
| Compound Name: | 4-[({[(3-methoxyphenyl)methyl]amino}{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.59 |
| Molecular Formula: | C25 H33 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)C(/NCc1cccc(c1)OC)=N/c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9324 |
| logD: | 2.9324 |
| logSw: | -3.1333 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.363 |
| InChI Key: | UMWAFWJSRINLPN-UHFFFAOYSA-N |