6-[(4-tert-butylphenoxy)methyl]-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-tert-butylphenoxy)methyl]-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-tert-butylphenoxy)methyl]-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D221-0145 |
| Compound Name: | 6-[(4-tert-butylphenoxy)methyl]-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C17 H22 N4 O S |
| Smiles: | CC(C)c1nnc2n1nc(COc1ccc(cc1)C(C)(C)C)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.399 |
| logD: | 4.399 |
| logSw: | -4.2682 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.987 |
| InChI Key: | MPIATUGRDCNLJS-UHFFFAOYSA-N |