2-[4-(3,4-dimethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[4-(3,4-dimethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-(3,4-dimethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8013-1845 |
| Compound Name: | 2-[4-(3,4-dimethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C15 H16 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(N(C2CC(C3OCC2O3)=O)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5534 |
| logD: | 2.5534 |
| logSw: | -2.7909 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.474 |
| InChI Key: | ZMLPWFLDFUXUJZ-UHFFFAOYSA-N |