N-benzyl-3,4-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-3,4-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-benzyl-3,4-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0072 |
| Compound Name: | N-benzyl-3,4-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 547.55 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1OC)S(N(CC(N1CCNCC1)=O)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0373 |
| logD: | 0.4778 |
| logSw: | -2.5285 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.956 |
| InChI Key: | MIISQFYJLZSWHE-UHFFFAOYSA-N |