N-butyl-4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-butyl-4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0652 |
| Compound Name: | N-butyl-4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 471.47 |
| Molecular Formula: | C16 H24 F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC(N1CCNCC1)=O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.212 |
| logD: | 0.6525 |
| logSw: | -2.4729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.945 |
| InChI Key: | XJUPNFIFKLNEFS-UHFFFAOYSA-N |