6-tert-butyl-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-tert-butyl-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one
6-tert-butyl-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-1034 |
| Compound Name: | 6-tert-butyl-3-(4-fluoro-3-methylbenzene-1-sulfonyl)-8-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 390.43 |
| Molecular Formula: | C20 H19 F O5 S |
| Smiles: | Cc1cc(ccc1F)S(C1=Cc2cc(cc(c2OC1=O)O)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6865 |
| logD: | 4.6802 |
| logSw: | -4.3347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.893 |
| InChI Key: | NMYBLCSGMWXDHR-UHFFFAOYSA-N |