N-(2-fluorophenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-fluorophenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D419-0693 |
| Compound Name: | N-(2-fluorophenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C22 H16 F N5 O3 S |
| Smiles: | C(C(Nc1ccccc1F)=O)Sc1nnc(c2cccc(c2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3902 |
| logD: | 4.3901 |
| logSw: | -4.4258 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.546 |
| InChI Key: | ZZYJGPHJGFPYJE-UHFFFAOYSA-N |