N-(4-fluorophenyl)-2-({5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-({5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-fluorophenyl)-2-({5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8014-1639 |
| Compound Name: | N-(4-fluorophenyl)-2-({5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 454.44 |
| Molecular Formula: | C19 H15 F N8 O3 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)F)=O)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0496 |
| logD: | 2.0494 |
| logSw: | -2.6558 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.506 |
| InChI Key: | ZUODADKUYIVZRH-UHFFFAOYSA-N |