N-butyl-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-butyl-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0659 |
| Compound Name: | N-butyl-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C18 H29 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC(N1CCNCC1)=O)S(c1cc(C)ccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.943 |
| logD: | 1.3835 |
| logSw: | -2.7709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.945 |
| InChI Key: | JHCDDUIGNFILCC-UHFFFAOYSA-N |