3-(4-ethoxyphenyl)-6,7-dimethoxy-1H-2,1lambda~6~-benzoxathiine-1,1-dione
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-6,7-dimethoxy-1H-2,1lambda~6~-benzoxathiine-1,1-dione
3-(4-ethoxyphenyl)-6,7-dimethoxy-1H-2,1lambda~6~-benzoxathiine-1,1-dione
Compound characteristics
Compound ID: | 5089-0181 |
Compound Name: | 3-(4-ethoxyphenyl)-6,7-dimethoxy-1H-2,1lambda~6~-benzoxathiine-1,1-dione |
Molecular Weight: | 362.4 |
Molecular Formula: | C18 H18 O6 S |
Smiles: | CCOc1ccc(cc1)C1=Cc2cc(c(cc2S(=O)(=O)O1)OC)OC |
Stereo: | ACHIRAL |
logP: | 2.892 |
logD: | 2.892 |
logSw: | -3.3196 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 58.693 |
InChI Key: | QKTQFYGKFHQQFZ-UHFFFAOYSA-N |