2-({4-benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-({4-benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
2-({4-benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 8014-4194 |
| Compound Name: | 2-({4-benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide |
| Molecular Weight: | 537.48 |
| Molecular Formula: | C26 H25 Br N4 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nnc(COc2ccc(cc2)[Br])n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7282 |
| logD: | 5.7282 |
| logSw: | -5.3319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.896 |
| InChI Key: | HNWCHMHGNAXJBQ-UHFFFAOYSA-N |