2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y202-9905 |
| Compound Name: | 2-({5-[4-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 449.43 |
| Molecular Formula: | C19 H17 F2 N5 O4 S |
| Smiles: | CCn1c(c2ccc(cc2)OC(F)F)nnc1SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8404 |
| logD: | 3.8389 |
| logSw: | -3.9311 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.101 |
| InChI Key: | ZFJPTSXNDGIRHO-UHFFFAOYSA-N |