5-{3-[chloro(difluoro)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole
Chemical Structure Depiction of
5-{3-[chloro(difluoro)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole
5-{3-[chloro(difluoro)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole
Compound characteristics
| Compound ID: | 8020-5904 |
| Compound Name: | 5-{3-[chloro(difluoro)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1'-ethyl-3',5'-dimethyl-1H,1'H-3,4'-bipyrazole |
| Molecular Weight: | 398.82 |
| Molecular Formula: | C14 H13 Cl F2 N8 S |
| Smiles: | CCn1c(C)c(c2cc(c3nn4c(C(F)(F)[Cl])nnc4s3)[nH]n2)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.347 |
| logD: | 2.347 |
| logSw: | -3.5288 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.761 |
| InChI Key: | XWOPDAABWLFQCF-UHFFFAOYSA-N |