3-benzamido-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-benzamido-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-benzamido-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F086-0433 |
Compound Name: | 3-benzamido-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 538.52 |
Molecular Formula: | C23 H28 N4 O4 |
Salt: | CF3COOH |
Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1NC(c1ccccc1)=O)C(O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1374 |
logD: | 1.243 |
logSw: | -3.3884 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 82.316 |
InChI Key: | KDBJMTRIAZZVTG-UHFFFAOYSA-N |