4-(3-nitro-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
Chemical Structure Depiction of
4-(3-nitro-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
4-(3-nitro-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
Compound characteristics
| Compound ID: | C163-0490 |
| Compound Name: | 4-(3-nitro-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 343.26 |
| Molecular Formula: | C13 H12 F3 N5 O3 |
| Smiles: | C(CC(Nc1cccc(c1)C(F)(F)F)=O)Cn1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.719 |
| logD: | 1.7165 |
| logSw: | -2.2709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.762 |
| InChI Key: | AYVYPNYEAQKYMX-UHFFFAOYSA-N |