6-tert-butyl-3-(4-fluorobenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-tert-butyl-3-(4-fluorobenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one
6-tert-butyl-3-(4-fluorobenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-1029 |
| Compound Name: | 6-tert-butyl-3-(4-fluorobenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 376.4 |
| Molecular Formula: | C19 H17 F O5 S |
| Smiles: | CC(C)(C)c1cc2C=C(C(=O)Oc2c(c1)O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.356 |
| logD: | 4.3498 |
| logSw: | -4.1572 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.893 |
| InChI Key: | KSPRCGNIFHCVHR-UHFFFAOYSA-N |