3-({[(3-methoxypropyl)amino](4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-({[(3-methoxypropyl)amino](4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
3-({[(3-methoxypropyl)amino](4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5787 |
| Compound Name: | 3-({[(3-methoxypropyl)amino](4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 533.55 |
| Molecular Formula: | C21 H33 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(CN1CCN(CC1)C(/NCCCOC)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.053 |
| logD: | 2.053 |
| logSw: | -2.5724 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.408 |
| InChI Key: | MAFKGHDSLPHESQ-UHFFFAOYSA-N |