3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1H-2,1lambda~6~-benzoxathiine-1,1-dione
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1H-2,1lambda~6~-benzoxathiine-1,1-dione
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1H-2,1lambda~6~-benzoxathiine-1,1-dione
Compound characteristics
| Compound ID: | 5089-0182 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1H-2,1lambda~6~-benzoxathiine-1,1-dione |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C18 H18 O7 S |
| Smiles: | COc1ccc(cc1OC)C1=Cc2cc(c(cc2S(=O)(=O)O1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0842 |
| logD: | 2.0842 |
| logSw: | -2.4866 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.83 |
| InChI Key: | FYDDFDXQDIQNSQ-UHFFFAOYSA-N |