2-[4-phenyl-3-(pyridin-4-yl)-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-phenyl-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[4-phenyl-3-(pyridin-4-yl)-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: | 8013-1403 |
| Compound Name: | 2-[4-phenyl-3-(pyridin-4-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C19 H16 N4 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(C(c2ccncc2)=N1)c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4651 |
| logD: | 1.465 |
| logSw: | -1.737 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.393 |
| InChI Key: | TUNWGBYRKYKSIH-UHFFFAOYSA-N |