2-[4-methyl-3-(pyridin-3-yl)-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
2-[4-methyl-3-(pyridin-3-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-methyl-3-(pyridin-3-yl)-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: | 8012-8379 |
| Compound Name: | 2-[4-methyl-3-(pyridin-3-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C14 H14 N4 O3 S |
| Smiles: | CN1C(c2cccnc2)=NN(C2CC(C3OCC2O3)=O)C1=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.1405 |
| logD: | 0.1364 |
| logSw: | -1.1 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.131 |
| InChI Key: | ZDLZDVQVPSPYEQ-UHFFFAOYSA-N |