6,8-dibromo-3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6,8-dibromo-3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one
6,8-dibromo-3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0094 |
| Compound Name: | 6,8-dibromo-3-[4-(propan-2-yl)benzene-1-sulfonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 486.18 |
| Molecular Formula: | C18 H14 Br2 O4 S |
| Smiles: | CC(C)c1ccc(cc1)S(C1=Cc2cc(cc(c2OC1=O)[Br])[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8478 |
| logD: | 5.8478 |
| logSw: | -5.645 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.345 |
| InChI Key: | FCJYYDQULYTCPW-UHFFFAOYSA-N |