6,7-dimethoxy-3-(4-methoxyphenyl)-1H-2,1lambda~6~-benzoxathiine-1,1-dione
Chemical Structure Depiction of
6,7-dimethoxy-3-(4-methoxyphenyl)-1H-2,1lambda~6~-benzoxathiine-1,1-dione
6,7-dimethoxy-3-(4-methoxyphenyl)-1H-2,1lambda~6~-benzoxathiine-1,1-dione
Compound characteristics
| Compound ID: | 5089-0180 |
| Compound Name: | 6,7-dimethoxy-3-(4-methoxyphenyl)-1H-2,1lambda~6~-benzoxathiine-1,1-dione |
| Molecular Weight: | 348.37 |
| Molecular Formula: | C17 H16 O6 S |
| Smiles: | COc1ccc(cc1)C1=Cc2cc(c(cc2S(=O)(=O)O1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5054 |
| logD: | 2.5054 |
| logSw: | -2.6996 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.113 |
| InChI Key: | NOCWFIGSVUYVJS-UHFFFAOYSA-N |