6-[(4-tert-butylphenoxy)methyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-tert-butylphenoxy)methyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-tert-butylphenoxy)methyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0444 |
| Compound Name: | 6-[(4-tert-butylphenoxy)methyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nn2c(c3ccccc3OC)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8378 |
| logD: | 4.8378 |
| logSw: | -4.6508 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.346 |
| InChI Key: | VWVROKGAJVNVCB-UHFFFAOYSA-N |