6-[(4-tert-butylphenoxy)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-tert-butylphenoxy)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-tert-butylphenoxy)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0445 |
| Compound Name: | 6-[(4-tert-butylphenoxy)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nn2c(c3cc(c(c(c3)OC)OC)OC)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7211 |
| logD: | 4.721 |
| logSw: | -4.6117 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.694 |
| InChI Key: | HZFOSZLDYYBYEN-UHFFFAOYSA-N |