N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide
N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | G952-2220 |
| Compound Name: | N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 415.86 |
| Molecular Formula: | C18 H14 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1OC)C(Nc1nn2c(c3ccc(cc3)[Cl])nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5216 |
| logD: | 3.5181 |
| logSw: | -4.0954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.386 |
| InChI Key: | BFAOGFAOOUWCKR-UHFFFAOYSA-N |