3-chloro-4-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-4-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-chloro-4-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F915-0345 |
Compound Name: | 3-chloro-4-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 483.89 |
Molecular Formula: | C18 H25 Cl F N3 O2 |
Salt: | CF3COOH |
Smiles: | CC(C)CCN(CC(N1CCNCC1)=O)C(c1ccc(c(c1)[Cl])F)=O |
Stereo: | ACHIRAL |
logP: | 1.755 |
logD: | 1.1955 |
logSw: | -2.9228 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.781 |
InChI Key: | DFPPXSUPYXMJBO-UHFFFAOYSA-N |