rel-(1R,2R,5S)-2-[5-(thiophen-2-yl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(1R,2R,5S)-2-[5-(thiophen-2-yl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2R,5S)-2-[5-(thiophen-2-yl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8018-0029 |
| Compound Name: | rel-(1R,2R,5S)-2-[5-(thiophen-2-yl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 278.29 |
| Molecular Formula: | C11 H10 N4 O3 S |
| Smiles: | C1C([C@@H]2OC[C@H]([C@H]1n1c(c3cccs3)nnn1)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4529 |
| logD: | 0.4529 |
| logSw: | -1.7547 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.482 |
| InChI Key: | VWUNTULVYFUYNS-FMTFEUNWSA-N |