N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbenzamide
Chemical Structure Depiction of
N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbenzamide
N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | G952-0925 |
| Compound Name: | N-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-methylbenzamide |
| Molecular Weight: | 369.83 |
| Molecular Formula: | C17 H12 Cl N5 O S |
| Smiles: | Cc1cccc(c1)C(Nc1nn2c(c3ccc(cc3)[Cl])nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2685 |
| logD: | 4.179 |
| logSw: | -4.6478 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.125 |
| InChI Key: | GMYVWDQZSSLQQE-UHFFFAOYSA-N |