N-{4-[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
Chemical Structure Depiction of
N-{4-[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
N-{4-[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
Compound characteristics
Compound ID: | D291-0283 |
Compound Name: | N-{4-[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide |
Molecular Weight: | 316.34 |
Molecular Formula: | C13 H12 N6 O2 S |
Smiles: | CC(Nc1c(c2nnc(n2c2ccccc2)SC)non1)=O |
Stereo: | ACHIRAL |
logP: | 1.9918 |
logD: | 1.9913 |
logSw: | -2.398 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.274 |
InChI Key: | DNGYQLRKWCYPIL-UHFFFAOYSA-N |