3-fluoro-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-fluoro-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3-fluoro-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F482-1191 |
Compound Name: | 3-fluoro-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 554.6 |
Molecular Formula: | C21 H33 F N4 O3 S |
Salt: | CF3COOH |
Smiles: | CC1CCCCN1CCN(CCC(N1CCNCC1)=O)S(c1cccc(c1)F)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.0861 |
logD: | 0.2581 |
logSw: | -2.4851 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.085 |
InChI Key: | PFOOKPWSNHBJEA-SFHVURJKSA-N |