2-[4-(4-iodophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[4-(4-iodophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-(4-iodophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8014-1229 |
| Compound Name: | 2-[4-(4-iodophenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 430.22 |
| Molecular Formula: | C13 H11 I N4 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(c2ccc(cc2)I)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6267 |
| logD: | 2.6267 |
| logSw: | -2.9395 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.474 |
| InChI Key: | LCVSILRPOGQDCS-UHFFFAOYSA-N |