rel-(1R,2R,5S)-2-[2-sulfanylidene-5-(thiophen-2-yl)-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(1R,2R,5S)-2-[2-sulfanylidene-5-(thiophen-2-yl)-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2R,5S)-2-[2-sulfanylidene-5-(thiophen-2-yl)-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8017-7512 |
| Compound Name: | rel-(1R,2R,5S)-2-[2-sulfanylidene-5-(thiophen-2-yl)-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C12 H10 N2 O4 S2 |
| Smiles: | C1C([C@@H]2OC[C@H]([C@H]1N1C(OC(c3cccs3)=N1)=S)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5567 |
| logD: | 1.5567 |
| logSw: | -2.0999 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.945 |
| InChI Key: | DOSIJRZSYJTFCY-FMTFEUNWSA-N |