6-[(2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0010 |
| Compound Name: | 6-[(2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 372.83 |
| Molecular Formula: | C17 H13 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc2n1nc(COc1ccccc1[Cl])s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8212 |
| logD: | 3.8212 |
| logSw: | -4.2683 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.346 |
| InChI Key: | GQKIWBCRPLDFMF-UHFFFAOYSA-N |