N-(4-acetylphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(4-acetylphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0481 |
| Compound Name: | N-(4-acetylphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C14 H15 N5 O4 |
| Smiles: | CC(c1ccc(cc1)NC(CCCn1cnc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2178 |
| logD: | 0.2166 |
| logSw: | -1.9956 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.589 |
| InChI Key: | NBUJLNJMUBYXDO-UHFFFAOYSA-N |