2-[4-(prop-2-en-1-yl)-5-sulfanylidene-3-(thiophen-2-yl)-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)-5-sulfanylidene-3-(thiophen-2-yl)-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)-5-sulfanylidene-3-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8012-8968 |
| Compound Name: | 2-[4-(prop-2-en-1-yl)-5-sulfanylidene-3-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C15 H15 N3 O3 S2 |
| Smiles: | C=CCN1C(c2cccs2)=NN(C2CC(C3OCC2O3)=O)C1=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0322 |
| logD: | 2.0322 |
| logSw: | -2.4094 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.845 |
| InChI Key: | DBLFEAPCEZCRGX-UHFFFAOYSA-N |