1-[4-chloro-1-(2,4-dimethylphenyl)-1-oxo-3,4-di(propane-1-sulfonyl)but-2-en-2-yl]-3-methylpyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[4-chloro-1-(2,4-dimethylphenyl)-1-oxo-3,4-di(propane-1-sulfonyl)but-2-en-2-yl]-3-methylpyridin-1-ium--chloride (1/1)
1-[4-chloro-1-(2,4-dimethylphenyl)-1-oxo-3,4-di(propane-1-sulfonyl)but-2-en-2-yl]-3-methylpyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 8009-1368 |
| Compound Name: | 1-[4-chloro-1-(2,4-dimethylphenyl)-1-oxo-3,4-di(propane-1-sulfonyl)but-2-en-2-yl]-3-methylpyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 548.55 |
| Molecular Formula: | C24 H31 Cl N O5 S2 |
| Salt: | Cl- |
| Smiles: | CCCS(C(/C(=C(/C(c1ccc(C)cc1C)=O)[n+]1cccc(C)c1)S(CCC)(=O)=O)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3347 |
| logD: | 5.3347 |
| logSw: | -5.2812 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.088 |
| InChI Key: | BRQAQCZVGZVNEO-YNXDEVCMSA-N |