4-({[(3-ethoxypropyl)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
4-({[(3-ethoxypropyl)amino](4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
4-({[(3-ethoxypropyl)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: | G537-5936 |
| Compound Name: | 4-({[(3-ethoxypropyl)amino](4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 547.57 |
| Molecular Formula: | C22 H35 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | CCOCCCN\C(=N/c1ccc(cc1)C(O)=O)N1CCN(CC1)CC(NC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0877 |
| logD: | 2.0877 |
| logSw: | -2.7891 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.043 |
| InChI Key: | KTJHDYBWWKHDSE-UHFFFAOYSA-N |