N-benzyl-2,5-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-2,5-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-benzyl-2,5-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0071 |
| Compound Name: | N-benzyl-2,5-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(c(c1)S(N(CC(N1CCNCC1)=O)Cc1ccccc1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.2518 |
| logD: | 0.6922 |
| logSw: | -2.4937 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.87 |
| InChI Key: | YTZYLWHIGXOGTR-UHFFFAOYSA-N |