2-[3-(3-fluorophenyl)-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-(3-fluorophenyl)-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-(3-fluorophenyl)-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: | 8013-1701 |
| Compound Name: | 2-[3-(3-fluorophenyl)-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: | 397.43 |
| Molecular Formula: | C20 H16 F N3 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(C(c2cccc(c2)F)=N1)c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8111 |
| logD: | 2.8111 |
| logSw: | -3.1798 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.965 |
| InChI Key: | AHXZVQFOPUAMRK-UHFFFAOYSA-N |