6-bromo-3-(3,4-dimethoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-(3,4-dimethoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
6-bromo-3-(3,4-dimethoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0183 |
| Compound Name: | 6-bromo-3-(3,4-dimethoxybenzene-1-sulfonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 425.25 |
| Molecular Formula: | C17 H13 Br O6 S |
| Smiles: | COc1ccc(cc1OC)S(C1=Cc2cc(ccc2OC1=O)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9879 |
| logD: | 2.9879 |
| logSw: | -3.4128 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.922 |
| InChI Key: | UOMSAHHKMJEYJC-UHFFFAOYSA-N |