4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F594-0687 |
Compound Name: | 4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 493.5 |
Molecular Formula: | C20 H30 F N3 O3 |
Salt: | CF3COOH |
Smiles: | CC(C)OCCCN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 0.4589 |
logD: | -0.3691 |
logSw: | -1.7634 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.96 |
InChI Key: | KELHIHVBVMFXGX-UHFFFAOYSA-N |