rel-(2R,5S)-2-(1H-benzimidazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(2R,5S)-2-(1H-benzimidazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(2R,5S)-2-(1H-benzimidazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8019-4574 |
| Compound Name: | rel-(2R,5S)-2-(1H-benzimidazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 244.25 |
| Molecular Formula: | C13 H12 N2 O3 |
| Smiles: | C1C([C@@H]2OCC([C@H]1n1cnc3ccccc13)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7712 |
| logD: | 0.7712 |
| logSw: | -1.2791 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.039 |
| InChI Key: | XCBUTPHPQYQTSK-SJMSNRFBSA-N |