N-{3-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{3-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-2-chlorobenzamide
N-{3-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | C200-4493 |
| Compound Name: | N-{3-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-2-chlorobenzamide |
| Molecular Weight: | 475.75 |
| Molecular Formula: | C18 H12 Br Cl N6 O S |
| Smiles: | Cc1c(c2nc(NC(c3ccccc3[Cl])=O)sn2)nnn1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8203 |
| logD: | 4.7854 |
| logSw: | -4.8069 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.76 |
| InChI Key: | PJLSZRJRSBVVQH-UHFFFAOYSA-N |