1-[4-chloro-1-(2,4-dimethylphenyl)-1-oxo-3,4-di(propane-1-sulfonyl)but-2-en-2-yl]pyridin-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]pyridin-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]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 8009-1369 |
| Compound Name: | 1-[4-chloro-1-(2,4-dimethylphenyl)-1-oxo-3,4-di(propane-1-sulfonyl)but-2-en-2-yl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 534.52 |
| Molecular Formula: | C23 H29 Cl N O5 S2 |
| Salt: | Cl- |
| Smiles: | CCCS(C(/C(=C(/C(c1ccc(C)cc1C)=O)[n+]1ccccc1)S(CCC)(=O)=O)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6276 |
| logD: | 4.6276 |
| logSw: | -4.3599 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.195 |
| InChI Key: | GDBXBZDPCHBHQK-VLDYRDDYSA-N |