N-(2-bromo-4,6-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2-bromo-4,6-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(2-bromo-4,6-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0494 |
| Compound Name: | N-(2-bromo-4,6-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 390.14 |
| Molecular Formula: | C12 H10 Br F2 N5 O3 |
| Smiles: | C(CC(Nc1c(cc(cc1[Br])F)F)=O)Cn1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1011 |
| logD: | 0.7951 |
| logSw: | -2.2323 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.367 |
| InChI Key: | OYGTXHRZBQDZAR-UHFFFAOYSA-N |