3-(4-tert-butylbenzene-1-sulfonyl)-6,8-difluoro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-tert-butylbenzene-1-sulfonyl)-6,8-difluoro-2H-1-benzopyran-2-one
3-(4-tert-butylbenzene-1-sulfonyl)-6,8-difluoro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0989 |
| Compound Name: | 3-(4-tert-butylbenzene-1-sulfonyl)-6,8-difluoro-2H-1-benzopyran-2-one |
| Molecular Weight: | 378.39 |
| Molecular Formula: | C19 H16 F2 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=Cc2cc(cc(c2OC1=O)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.952 |
| logD: | 4.952 |
| logSw: | -4.8093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.345 |
| InChI Key: | FITHGCSGUQCUMD-UHFFFAOYSA-N |