2-[4-(3-acetylphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[4-(3-acetylphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-(3-acetylphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8015-3244 |
| Compound Name: | 2-[4-(3-acetylphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 346.36 |
| Molecular Formula: | C15 H14 N4 O4 S |
| Smiles: | CC(c1cccc(c1)N1C(N(C2CC(C3OCC2O3)=O)N=N1)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9751 |
| logD: | 0.9751 |
| logSw: | -2.1438 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.301 |
| InChI Key: | CQTRXPWTCMYNJI-UHFFFAOYSA-N |