3-[(4-chlorophenoxy)methyl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-chlorophenoxy)methyl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-chlorophenoxy)methyl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D228-1825 |
Compound Name: | 3-[(4-chlorophenoxy)methyl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 402.86 |
Molecular Formula: | C18 H15 Cl N4 O3 S |
Smiles: | COc1ccc(cc1OC)c1nn2c(COc3ccc(cc3)[Cl])nnc2s1 |
Stereo: | ACHIRAL |
logP: | 3.3276 |
logD: | 3.3276 |
logSw: | -3.7875 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 57.458 |
InChI Key: | YXSXCLVVBRSSMA-UHFFFAOYSA-N |