N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(trifluoromethyl)benzamide
N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | G952-3515 |
| Compound Name: | N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 423.8 |
| Molecular Formula: | C17 H9 Cl F3 N5 O S |
| Smiles: | c1ccc(c(c1)C(Nc1nn2c(c3ccc(cc3)[Cl])nnc2s1)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.2703 |
| logD: | 2.3185 |
| logSw: | -4.8062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.125 |
| InChI Key: | AEVWAJJBLHAKPW-UHFFFAOYSA-N |