2-(4-methyl-3-phenyl-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-phenyl-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-phenyl-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: | 8009-1575 |
| Compound Name: | 2-(4-methyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 317.36 |
| Molecular Formula: | C15 H15 N3 O3 S |
| Smiles: | CN1C(c2ccccc2)=NN(C2CC(C3OCC2O3)=O)C1=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3664 |
| logD: | 1.3664 |
| logSw: | -1.9647 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.613 |
| InChI Key: | KNJBLGDOIPYGAI-UHFFFAOYSA-N |