2,5-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,5-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,5-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0336 |
| Compound Name: | 2,5-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 561.58 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(c(c1)S(N(CCc1ccccc1)CC(N1CCNCC1)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.4789 |
| logD: | 0.9194 |
| logSw: | -2.5348 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.848 |
| InChI Key: | NLAHYAJAXPLXGG-UHFFFAOYSA-N |