N-{4-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
Chemical Structure Depiction of
N-{4-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
N-{4-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
Compound characteristics
| Compound ID: | D291-0266 |
| Compound Name: | N-{4-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide |
| Molecular Weight: | 392.44 |
| Molecular Formula: | C19 H16 N6 O2 S |
| Smiles: | CC(Nc1c(c2nnc(n2c2ccccc2)SCc2ccccc2)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1982 |
| logD: | 3.1977 |
| logSw: | -3.3092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.003 |
| InChI Key: | VAUAAANCIOTHEI-UHFFFAOYSA-N |