2-[3-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[3-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[3-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8001-8116 |
| Compound Name: | 2-[3-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 402.42 |
| Molecular Formula: | C19 H18 N2 O6 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(C2CC(C3OCC2O3)=O)c2ccccc12)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0128 |
| logD: | -0.0128 |
| logSw: | -1.77 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.632 |
| InChI Key: | RQGIDQQMSDJKIJ-UHFFFAOYSA-N |