5-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
5-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-2-benzofuran-1(3H)-one
5-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8014-1175 |
| Compound Name: | 5-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-2-benzofuran-1(3H)-one |
| Molecular Weight: | 360.35 |
| Molecular Formula: | C15 H12 N4 O5 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(c2ccc3C(=O)OCc3c2)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6236 |
| logD: | 0.6236 |
| logSw: | -2.3339 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.047 |
| InChI Key: | NMHXDOROZZALPA-UHFFFAOYSA-N |