6-[(4-bromophenoxy)methyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-bromophenoxy)methyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-bromophenoxy)methyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0137 |
| Compound Name: | 6-[(4-bromophenoxy)methyl]-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 417.28 |
| Molecular Formula: | C17 H13 Br N4 O2 S |
| Smiles: | COc1ccccc1c1nnc2n1nc(COc1ccc(cc1)[Br])s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8773 |
| logD: | 3.8773 |
| logSw: | -4.0897 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.346 |
| InChI Key: | XJEACVBHQIKECV-UHFFFAOYSA-N |