2-[3-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-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: | 8008-9166 |
| Compound Name: | 2-[3-(2-chlorophenyl)-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: | 413.88 |
| Molecular Formula: | C20 H16 Cl N3 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(C(c2ccccc2[Cl])=N1)c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1273 |
| logD: | 3.1273 |
| logSw: | -3.763 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.965 |
| InChI Key: | ZLLZATUNNVJFMT-UHFFFAOYSA-N |