6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0184 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C19 H17 Cl N4 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc2n1nc(Cc1ccc(cc1)[Cl])s2 |
| Stereo: | ACHIRAL |
| logP: | 3.7102 |
| logD: | 3.7102 |
| logSw: | -4.2778 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.195 |
| InChI Key: | KKFDTBKCMFUTGY-UHFFFAOYSA-N |