2-[3-(furan-2-yl)-4-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-[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[3-(furan-2-yl)-4-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: | 8008-9168 |
Compound Name: | 2-[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
Molecular Weight: | 369.4 |
Molecular Formula: | C18 H15 N3 O4 S |
Smiles: | C1C(C2COC(C1=O)O2)N1C(N(C(c2ccco2)=N1)c1ccccc1)=S |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.8132 |
logD: | 1.8132 |
logSw: | -2.2203 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 55.543 |
InChI Key: | PPJXKQDLWWWPCB-UHFFFAOYSA-N |