N-benzyl-2,4,5-trimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-2,4,5-trimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-benzyl-2,4,5-trimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0084 |
| Compound Name: | N-benzyl-2,4,5-trimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 529.58 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(N(CC(N1CCNCC1)=O)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7634 |
| logD: | 2.2039 |
| logSw: | -3.2822 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.695 |
| InChI Key: | QSMFTNMXSDIQDO-UHFFFAOYSA-N |