N-butyl-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-butyl-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1055 |
| Compound Name: | N-butyl-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 527.56 |
| Molecular Formula: | C19 H31 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCC(N1CCNCC1)=O)S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2071 |
| logD: | 0.3791 |
| logSw: | -2.4046 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.098 |
| InChI Key: | XNGCCWCVOBOWHK-UHFFFAOYSA-N |