rel-(1R,2R,5S)-2-[5-(furan-2-yl)-2-sulfanylidene-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-[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2R,5S)-2-[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8015-7270 |
| Compound Name: | rel-(1R,2R,5S)-2-[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 294.28 |
| Molecular Formula: | C12 H10 N2 O5 S |
| Smiles: | C1C([C@@H]2OC[C@H]([C@H]1N1C(OC(c3ccco3)=N1)=S)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8189 |
| logD: | 0.8187 |
| logSw: | -1.623 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.505 |
| InChI Key: | BOGUVYJQFALYGX-PTHKFVFGSA-N |