4-butoxy-N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-butoxy-N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-butoxy-N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F594-0500 |
Compound Name: | 4-butoxy-N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 555.57 |
Molecular Formula: | C25 H32 F N3 O3 |
Salt: | CF3COOH |
Smiles: | CCCCOc1ccc(cc1)C(N(CCC(N1CCNCC1)=O)Cc1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 2.5692 |
logD: | 1.7413 |
logSw: | -2.8353 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.927 |
InChI Key: | QNTYODYSERVRCY-UHFFFAOYSA-N |