2-[4-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-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: | 8012-8966 |
| Compound Name: | 2-[4-(prop-2-en-1-yl)-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: | 344.39 |
| Molecular Formula: | C16 H16 N4 O3 S |
| Smiles: | C=CCN1C(c2cccnc2)=NN(C2CC(C3OCC2O3)=O)C1=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8642 |
| logD: | 0.8628 |
| logSw: | -1.1939 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.344 |
| InChI Key: | ZDZVRFMWBQBFKA-UHFFFAOYSA-N |