7-({[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
7-({[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
7-({[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-3813 |
| Compound Name: | 7-({[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one |
| Molecular Weight: | 474.49 |
| Molecular Formula: | C22 H22 N2 O8 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(o1)SCc1c2C(=O)OCc2c(c(c1OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8687 |
| logD: | 2.8687 |
| logSw: | -3.2371 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.049 |
| InChI Key: | VQUITAVHPSZDCS-UHFFFAOYSA-N |