3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | 8020-6863 |
Compound Name: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 301.33 |
Molecular Formula: | C12 H11 N7 O S |
Smiles: | Cc1c(Cc2nnc3n2nc(c2ccn[nH]2)s3)c(C)on1 |
Stereo: | ACHIRAL |
logP: | 0.9963 |
logD: | 0.9963 |
logSw: | -2.0663 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.337 |
InChI Key: | ZYQDKUFDESSKRI-UHFFFAOYSA-N |