2-[3-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | 8009-3821 |
| Compound Name: | 2-[3-(4-methoxyphenyl)-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: | 347.39 |
| Molecular Formula: | C16 H17 N3 O4 S |
| Smiles: | CN1C(c2ccc(cc2)OC)=NN(C2CC(C3OCC2O3)=O)C1=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4538 |
| logD: | 1.4538 |
| logSw: | -2.0643 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.157 |
| InChI Key: | WRMVYVASKKHCME-UHFFFAOYSA-N |