6-[(4-tert-butylphenoxy)methyl]-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-tert-butylphenoxy)methyl]-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-tert-butylphenoxy)methyl]-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0442 |
| Compound Name: | 6-[(4-tert-butylphenoxy)methyl]-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 398.91 |
| Molecular Formula: | C20 H19 Cl N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nn2c(c3cccc(c3)[Cl])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.8997 |
| logD: | 5.8997 |
| logSw: | -6.153 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.716 |
| InChI Key: | VSTQNMPZFYFSOW-UHFFFAOYSA-N |