7-({[5-(adamantan-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
7-({[5-(adamantan-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
7-({[5-(adamantan-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-5457 |
| Compound Name: | 7-({[5-(adamantan-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C24 H28 N2 O6 S |
| Smiles: | COc1c2COC(c2c(CSc2nnc(C34CC5CC(CC(C5)C4)C3)o2)c(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8078 |
| logD: | 4.8078 |
| logSw: | -4.7429 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.821 |
| InChI Key: | QZKNSNMXJTWOBB-UHFFFAOYSA-N |