N-{3-[1-(3,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{3-[1-(3,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-fluorobenzamide
N-{3-[1-(3,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | G193-0503 |
| Compound Name: | N-{3-[1-(3,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-fluorobenzamide |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C20 H17 F N6 O S |
| Smiles: | Cc1cc(C)cc(c1)n1c(C)c(c2nc(NC(c3cccc(c3)F)=O)sn2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.6424 |
| logD: | 4.6105 |
| logSw: | -4.5269 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.76 |
| InChI Key: | HACNQJFNIANVRX-UHFFFAOYSA-N |