3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-fluorobenzene-1-sulfonate
3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5429 |
| Compound Name: | 3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 418.48 |
| Molecular Formula: | C22 H23 F O5 S |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1073 |
| logD: | 6.1073 |
| logSw: | -5.3763 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.922 |
| InChI Key: | LOKMOYYGRHAZTE-UHFFFAOYSA-N |