N-(4-cyanophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(4-cyanophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0473 |
| Compound Name: | N-(4-cyanophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C13 H12 N6 O3 |
| Smiles: | C(CC(Nc1ccc(C#N)cc1)=O)Cn1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.3302 |
| logD: | 0.3285 |
| logSw: | -2.0577 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.818 |
| InChI Key: | OPRPJLHXGZYEHH-UHFFFAOYSA-N |