6-[(4-tert-butylphenoxy)methyl]-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-tert-butylphenoxy)methyl]-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-tert-butylphenoxy)methyl]-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0439 |
| Compound Name: | 6-[(4-tert-butylphenoxy)methyl]-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Smiles: | Cc1ccc(cc1)c1nnc2n1nc(COc1ccc(cc1)C(C)(C)C)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.662 |
| logD: | 5.662 |
| logSw: | -5.5557 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.716 |
| InChI Key: | XIMKLQWLUSOJNU-UHFFFAOYSA-N |