N-{4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
Chemical Structure Depiction of
N-{4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
N-{4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
Compound characteristics
| Compound ID: | D291-0131 |
| Compound Name: | N-{4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide |
| Molecular Weight: | 330.37 |
| Molecular Formula: | C14 H14 N6 O2 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCc2ccccc2)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7471 |
| logD: | 1.7423 |
| logSw: | -2.183 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.341 |
| InChI Key: | KNCPFLGWAWJBDD-UHFFFAOYSA-N |