2-[3-(furan-2-yl)-4-methyl-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-[3-(furan-2-yl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[3-(furan-2-yl)-4-methyl-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: | 8012-9081 |
| Compound Name: | 2-[3-(furan-2-yl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 307.33 |
| Molecular Formula: | C13 H13 N3 O4 S |
| Smiles: | CN1C(c2ccco2)=NN(C2CC(C3OCC2O3)=O)C1=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.5705 |
| logD: | 0.5705 |
| logSw: | -1.6592 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.192 |
| InChI Key: | JFYUOYIRFCTBPK-UHFFFAOYSA-N |