N-(2,4-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(2,4-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
Compound ID: | C163-0467 |
Compound Name: | N-(2,4-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
Molecular Weight: | 311.24 |
Molecular Formula: | C12 H11 F2 N5 O3 |
Smiles: | C(CC(Nc1ccc(cc1F)F)=O)Cn1cnc(n1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 0.5916 |
logD: | 0.547 |
logSw: | -2.2377 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.064 |
InChI Key: | FISCYDFQXDAOTP-UHFFFAOYSA-N |