3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D228-1816 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 386.86 |
| Molecular Formula: | C18 H15 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nn2c(Cc3ccc(cc3)[Cl])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5423 |
| logD: | 3.5423 |
| logSw: | -3.9971 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.959 |
| InChI Key: | KEXJHTQBGYYCMN-UHFFFAOYSA-N |