N-butyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1)
N-butyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1048 |
| Compound Name: | N-butyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 467.51 |
| Molecular Formula: | C17 H27 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCC(N1CCNCC1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2013 |
| logD: | 0.3734 |
| logSw: | -2.3202 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.924 |
| InChI Key: | MCVZVKOYFPJRIC-UHFFFAOYSA-N |