rel-(1R,2R,5S)-2-[4-(pyridin-3-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(1R,2R,5S)-2-[4-(pyridin-3-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(1R,2R,5S)-2-[4-(pyridin-3-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8017-9608 |
| Compound Name: | rel-(1R,2R,5S)-2-[4-(pyridin-3-yl)-5-sulfanylidene-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 305.31 |
| Molecular Formula: | C12 H11 N5 O3 S |
| Smiles: | C1C([C@@H]2OC[C@H]([C@H]1N1C(N(c3cccnc3)N=N1)=S)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3661 |
| logD: | 0.3533 |
| logSw: | -1.1282 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.992 |
| InChI Key: | LIOJSDDZKFHIEH-JMJZKYOTSA-N |