2-({5-[(benzylsulfanyl)methyl]-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({5-[(benzylsulfanyl)methyl]-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({5-[(benzylsulfanyl)methyl]-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y203-0238 |
| Compound Name: | 2-({5-[(benzylsulfanyl)methyl]-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 449.39 |
| Molecular Formula: | C18 H17 Br N4 O S2 |
| Smiles: | C(c1ccccc1)SCc1nnc(n1c1ccc(cc1)[Br])SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5887 |
| logD: | 3.5887 |
| logSw: | -3.7359 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.348 |
| InChI Key: | HCVIGJATZAKNCW-UHFFFAOYSA-N |