2-({5-[(benzylsulfanyl)methyl]-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({5-[(benzylsulfanyl)methyl]-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({5-[(benzylsulfanyl)methyl]-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y203-0236 |
| Compound Name: | 2-({5-[(benzylsulfanyl)methyl]-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C20 H22 N4 O3 S2 |
| Smiles: | COc1ccc(c(c1)OC)n1c(CSCc2ccccc2)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7573 |
| logD: | 2.7573 |
| logSw: | -3.3105 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.221 |
| InChI Key: | NFYNGPBLFIFYEY-UHFFFAOYSA-N |