2-(4-tert-butyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-(4-tert-butyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(4-tert-butyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8014-2708 |
| Compound Name: | 2-(4-tert-butyl-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 284.33 |
| Molecular Formula: | C11 H16 N4 O3 S |
| Smiles: | CC(C)(C)N1C(N(C2CC(C3OCC2O3)=O)N=N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9661 |
| logD: | 0.9661 |
| logSw: | -1.5006 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.441 |
| InChI Key: | XIBOMRHDBZUGHP-UHFFFAOYSA-N |