6-[(3,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(3,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(3,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D727-0238 |
Compound Name: | 6-[(3,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 400.43 |
Molecular Formula: | C19 H17 F N4 O3 S |
Smiles: | COc1ccc(Cc2nn3c(COc4ccc(cc4)F)nnc3s2)cc1OC |
Stereo: | ACHIRAL |
logP: | 2.6989 |
logD: | 2.6989 |
logSw: | -2.8998 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 57.953 |
InChI Key: | PBCHZFUBQBMVSC-UHFFFAOYSA-N |