3-(4-bromophenyl)-6-[(2-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(4-bromophenyl)-6-[(2-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(4-bromophenyl)-6-[(2-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D727-0403 |
Compound Name: | 3-(4-bromophenyl)-6-[(2-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 417.28 |
Molecular Formula: | C17 H13 Br N4 O2 S |
Smiles: | COc1ccccc1OCc1nn2c(c3ccc(cc3)[Br])nnc2s1 |
Stereo: | ACHIRAL |
logP: | 4.0252 |
logD: | 4.0252 |
logSw: | -4.3304 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 49.433 |
InChI Key: | GEJJPNIPTMTLRJ-UHFFFAOYSA-N |