N-(3-bromophenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-bromophenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L849-1380 |
| Compound Name: | N-(3-bromophenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 497.42 |
| Molecular Formula: | C22 H21 Br N6 O S |
| Smiles: | Cc1ccc(cc1)c1c(cn(C)n1)c1nnc(n1C)SCC(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0691 |
| logD: | 4.0689 |
| logSw: | -3.9564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.284 |
| InChI Key: | XJANNXPHFIADFG-UHFFFAOYSA-N |