N-{3-[1-(4-bromophenyl)-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-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide
N-{3-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | G193-0443 |
| Compound Name: | N-{3-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C20 H17 Br N6 O S |
| Smiles: | Cc1ccc(cc1C)C(Nc1nc(c2c(C)n(c3ccc(cc3)[Br])nn2)ns1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.351 |
| logD: | 5.3333 |
| logSw: | -5.3722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.76 |
| InChI Key: | BPCVQRJSMHGEGC-UHFFFAOYSA-N |