6-[(4-tert-butylphenoxy)methyl]-3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-tert-butylphenoxy)methyl]-3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-tert-butylphenoxy)methyl]-3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0908 |
| Compound Name: | 6-[(4-tert-butylphenoxy)methyl]-3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C18 H20 N6 O S |
| Smiles: | Cc1cc(c2nnc3n2nc(COc2ccc(cc2)C(C)(C)C)s3)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.888 |
| logD: | 3.888 |
| logSw: | -3.8967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.284 |
| InChI Key: | XJRHRVNFUNRZRQ-UHFFFAOYSA-N |