2-(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8009-6192 |
| Compound Name: | 2-(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C14 H14 N4 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(Cc2ccccc2)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4864 |
| logD: | 1.4864 |
| logSw: | -2.0512 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.893 |
| InChI Key: | PZDBOQVVEYLHSB-UHFFFAOYSA-N |