rel-(1R,2R,5S)-2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(1R,2R,5S)-2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2R,5S)-2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8017-7306 |
| Compound Name: | rel-(1R,2R,5S)-2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 338.34 |
| Molecular Formula: | C12 H14 N6 O4 S |
| Smiles: | CCN1C(c2c(N)non2)=NN(C1=S)[C@@H]1CC([C@H]2OC[C@@H]1O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3272 |
| logD: | 0.3272 |
| logSw: | -1.1704 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.658 |
| InChI Key: | MCBKLJQAAHORMW-AODONOJDSA-N |