2-[3-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: | 8013-1404 |
| Compound Name: | 2-[3-(4-chlorophenyl)-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: | 351.81 |
| Molecular Formula: | C15 H14 Cl N3 O3 S |
| Smiles: | CN1C(c2ccc(cc2)[Cl])=NN(C2CC(C3OCC2O3)=O)C1=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0662 |
| logD: | 2.0662 |
| logSw: | -2.8873 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.613 |
| InChI Key: | WGJXJHDUEXNLPM-UHFFFAOYSA-N |