N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4,5-trimethoxybenzamide
N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | G952-2290 |
| Compound Name: | N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 445.88 |
| Molecular Formula: | C19 H16 Cl N5 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1nn2c(c3ccc(cc3)[Cl])nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6782 |
| logD: | 3.6773 |
| logSw: | -4.3617 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.103 |
| InChI Key: | LJHPPLWIWIPFKL-UHFFFAOYSA-N |