2-({5-[(benzylsulfanyl)methyl]-4-(2,3-dichlorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({5-[(benzylsulfanyl)methyl]-4-(2,3-dichlorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({5-[(benzylsulfanyl)methyl]-4-(2,3-dichlorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y203-0253 |
| Compound Name: | 2-({5-[(benzylsulfanyl)methyl]-4-(2,3-dichlorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 439.38 |
| Molecular Formula: | C18 H16 Cl2 N4 O S2 |
| Smiles: | C(c1ccccc1)SCc1nnc(n1c1cccc(c1[Cl])[Cl])SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.948 |
| logD: | 3.948 |
| logSw: | -4.2384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.047 |
| InChI Key: | UREDPFTVFVUVOV-UHFFFAOYSA-N |