2-[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8013-1703 |
| Compound Name: | 2-[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 348.33 |
| Molecular Formula: | C14 H12 N4 O5 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(c2ccc3c(c2)OCO3)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3767 |
| logD: | 1.3767 |
| logSw: | -2.346 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.59 |
| InChI Key: | VBMJVSMLFROIGT-UHFFFAOYSA-N |