4-bromo-N-{3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
Chemical Structure Depiction of
4-bromo-N-{3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
4-bromo-N-{3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
Compound characteristics
| Compound ID: | G193-0280 |
| Compound Name: | 4-bromo-N-{3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide |
| Molecular Weight: | 501.36 |
| Molecular Formula: | C20 H17 Br N6 O3 S |
| Smiles: | Cc1c(c2nc(NC(c3ccc(cc3)[Br])=O)sn2)nnn1c1cc(cc(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7176 |
| logD: | 4.6827 |
| logSw: | -4.5896 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.848 |
| InChI Key: | VSVXEUQUBOVIJJ-UHFFFAOYSA-N |