1-{[6-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Chemical Structure Depiction of
1-{[6-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
1-{[6-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0381 |
| Compound Name: | 1-{[6-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole |
| Molecular Weight: | 389.48 |
| Molecular Formula: | C20 H19 N7 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nn2c(Cn3c4ccccc4nn3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9491 |
| logD: | 3.948 |
| logSw: | -3.9697 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 60.395 |
| InChI Key: | ZZOSYONRCIQDEH-UHFFFAOYSA-N |