N-(2-chloro-4-nitrophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2-chloro-4-nitrophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(2-chloro-4-nitrophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0468 |
| Compound Name: | N-(2-chloro-4-nitrophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 354.71 |
| Molecular Formula: | C12 H11 Cl N6 O5 |
| Smiles: | C(CC(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O)Cn1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.918 |
| logD: | 0.5246 |
| logSw: | -2.6074 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.446 |
| InChI Key: | PEHPDTJPCFGDRU-UHFFFAOYSA-N |