1-{[6-(3-bromophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Chemical Structure Depiction of
1-{[6-(3-bromophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
1-{[6-(3-bromophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0383 |
| Compound Name: | 1-{[6-(3-bromophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole |
| Molecular Weight: | 412.27 |
| Molecular Formula: | C16 H10 Br N7 S |
| Smiles: | C(c1nnc2n1nc(c1cccc(c1)[Br])s2)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.9843 |
| logD: | 2.9832 |
| logSw: | -2.9687 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 60.395 |
| InChI Key: | ITZVJJGDUJLFFV-UHFFFAOYSA-N |