rel-(1R,2S,5R)-2-[(1,3-benzothiazol-2-yl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(1R,2S,5R)-2-[(1,3-benzothiazol-2-yl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2S,5R)-2-[(1,3-benzothiazol-2-yl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8015-5256 |
| Compound Name: | rel-(1R,2S,5R)-2-[(1,3-benzothiazol-2-yl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 293.36 |
| Molecular Formula: | C13 H11 N O3 S2 |
| Smiles: | C1C([C@@H]2OC[C@H]([C@H]1Sc1nc3ccccc3s1)O2)=O |
| Stereo: | RELATIVE |
| logP: | 2.7311 |
| logD: | 2.7311 |
| logSw: | -2.9247 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.099 |
| InChI Key: | QJVOXAUMHMMBBL-ADEWGFFLSA-N |