N-(4-fluorophenyl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-fluorophenyl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F019-0393 |
| Compound Name: | N-(4-fluorophenyl)-2-{[5-(4-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(Nc1ccc(cc1)F)=O)Sc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6207 |
| logD: | 4.6206 |
| logSw: | -4.6489 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.243 |
| InChI Key: | HPELXESKYUQJQE-UHFFFAOYSA-N |