2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8012-9096 |
| Compound Name: | 2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | Cc1cc(C)c(c(C)c1)N1C(N(C2CC(C3OCC2O3)=O)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2217 |
| logD: | 3.2217 |
| logSw: | -3.2459 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.872 |
| InChI Key: | ZILGJTVKUBMBFG-UHFFFAOYSA-N |