2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D432-0169 |
| Compound Name: | 2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C18 H17 Br N4 O2 S |
| Smiles: | C(c1ccccc1)n1c(COc2cccc(c2)[Br])nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0169 |
| logD: | 3.0169 |
| logSw: | -3.2586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.104 |
| InChI Key: | CYRGSEPVORIGCJ-UHFFFAOYSA-N |