1-[2-(4-fluorophenyl)-4,5-di(propane-1-sulfonyl)furan-3-yl]-3,5-dimethylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(4-fluorophenyl)-4,5-di(propane-1-sulfonyl)furan-3-yl]-3,5-dimethylpyridin-1-ium--bromide (1/1)
1-[2-(4-fluorophenyl)-4,5-di(propane-1-sulfonyl)furan-3-yl]-3,5-dimethylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8009-1379 |
| Compound Name: | 1-[2-(4-fluorophenyl)-4,5-di(propane-1-sulfonyl)furan-3-yl]-3,5-dimethylpyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 560.5 |
| Molecular Formula: | C23 H27 F N O5 S2 |
| Salt: | Br- |
| Smiles: | CCCS(c1c(c(c2ccc(cc2)F)oc1S(CCC)(=O)=O)[n+]1cc(C)cc(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7938 |
| logD: | 4.7938 |
| logSw: | -4.5566 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.549 |
| InChI Key: | MUIDAZNWIHJXRP-UHFFFAOYSA-N |