2-(4-{2-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]ethyl}-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-(4-{2-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]ethyl}-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(4-{2-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]ethyl}-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8014-9077 |
| Compound Name: | 2-(4-{2-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]ethyl}-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 482.49 |
| Molecular Formula: | C16 H18 N8 O6 S2 |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(CCN2C(N(C3CC(C4OCC3O4)=O)N=N2)=S)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.6018 |
| logD: | -0.6018 |
| logSw: | -0.8783 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 123.777 |
| InChI Key: | TVNXNJLMGVNNBY-UHFFFAOYSA-N |