N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-chlorobenzamide
Chemical Structure Depiction of
N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-chlorobenzamide
N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-chlorobenzamide
Compound characteristics
| Compound ID: | C200-4602 |
| Compound Name: | N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-chlorobenzamide |
| Molecular Weight: | 493.74 |
| Molecular Formula: | C18 H11 Br Cl F N6 O S |
| Smiles: | Cc1c(c2nc(NC(c3ccc(cc3)[Cl])=O)sn2)nnn1c1ccc(cc1F)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8732 |
| logD: | 4.8383 |
| logSw: | -4.9809 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.459 |
| InChI Key: | REKOVOIWZFVEQG-UHFFFAOYSA-N |