methyl 4-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]benzoate
methyl 4-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]benzoate
Compound characteristics
| Compound ID: | 8014-2729 |
| Compound Name: | methyl 4-[4-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]benzoate |
| Molecular Weight: | 362.36 |
| Molecular Formula: | C15 H14 N4 O5 S |
| Smiles: | COC(c1ccc(cc1)N1C(N(C2CC(C3OCC2O3)=O)N=N1)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5068 |
| logD: | 1.5068 |
| logSw: | -2.221 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.648 |
| InChI Key: | ADFLCQGWUFAUMK-UHFFFAOYSA-N |