1-[2-(2,4-dimethylphenyl)-4,5-di(propane-1-sulfonyl)furan-3-yl]-3-methylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(2,4-dimethylphenyl)-4,5-di(propane-1-sulfonyl)furan-3-yl]-3-methylpyridin-1-ium--bromide (1/1)
1-[2-(2,4-dimethylphenyl)-4,5-di(propane-1-sulfonyl)furan-3-yl]-3-methylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8016-8333 |
| Compound Name: | 1-[2-(2,4-dimethylphenyl)-4,5-di(propane-1-sulfonyl)furan-3-yl]-3-methylpyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 556.54 |
| Molecular Formula: | C24 H30 N O5 S2 |
| Salt: | Br- |
| Smiles: | CCCS(c1c(c(c2ccc(C)cc2C)oc1S(CCC)(=O)=O)[n+]1cccc(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9096 |
| logD: | 4.9096 |
| logSw: | -4.452 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.656 |
| InChI Key: | ZGAJCGYYCLNTQB-UHFFFAOYSA-N |