2-({5-[(benzylsulfanyl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({5-[(benzylsulfanyl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({5-[(benzylsulfanyl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y203-0247 |
| Compound Name: | 2-({5-[(benzylsulfanyl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C20 H22 N4 O2 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(CSCc2ccccc2)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1237 |
| logD: | 3.1237 |
| logSw: | -3.2334 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.472 |
| InChI Key: | LBRCSPJIHVUKEL-UHFFFAOYSA-N |