rel-(1R,2R,5S)-2-[5-(4-fluorophenyl)-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-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2R,5S)-2-[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8016-2135 |
| Compound Name: | rel-(1R,2R,5S)-2-[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 322.31 |
| Molecular Formula: | C14 H11 F N2 O4 S |
| Smiles: | C1C([C@@H]2OC[C@H]([C@H]1N1C(OC(c3ccc(cc3)F)=N1)=S)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7489 |
| logD: | 1.7487 |
| logSw: | -2.3575 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.927 |
| InChI Key: | DXCVJASYGNMBHY-UFGOTCBOSA-N |