rel-(1R,2R,5S)-2-[5-(2-bromophenyl)-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-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2R,5S)-2-[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8017-2382 |
| Compound Name: | rel-(1R,2R,5S)-2-[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 383.22 |
| Molecular Formula: | C14 H11 Br N2 O4 S |
| Smiles: | C1C([C@@H]2OC[C@H]([C@H]1N1C(OC(c3ccccc3[Br])=N1)=S)O2)=O |
| Stereo: | RELATIVE |
| logP: | 1.993 |
| logD: | 1.9929 |
| logSw: | -2.759 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.927 |
| InChI Key: | PWQGUYBBFKDPCJ-UFGOTCBOSA-N |