N-(3,5-dichlorophenyl)-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,5-dichlorophenyl)-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,5-dichlorophenyl)-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-3029 |
| Compound Name: | N-(3,5-dichlorophenyl)-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 411.28 |
| Molecular Formula: | C17 H13 Cl2 F N4 O S |
| Smiles: | Cn1c(c2ccc(cc2)F)nnc1SCC(Nc1cc(cc(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7745 |
| logD: | 4.7646 |
| logSw: | -4.849 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.2 |
| InChI Key: | QEPUONXZFCDXLA-UHFFFAOYSA-N |