N-{3-[1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-{3-[1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide
N-{3-[1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | G193-0454 |
| Compound Name: | N-{3-[1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C22 H22 N6 O S |
| Smiles: | Cc1ccc(cc1C)C(Nc1nc(c2c(C)n(c3ccc(C)c(C)c3)nn2)ns1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6446 |
| logD: | 5.6269 |
| logSw: | -5.4275 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.76 |
| InChI Key: | HTSMFNXMVJHGDE-UHFFFAOYSA-N |