N-(2-chloropyridin-3-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2-chloropyridin-3-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(2-chloropyridin-3-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0474 |
| Compound Name: | N-(2-chloropyridin-3-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 310.7 |
| Molecular Formula: | C11 H11 Cl N6 O3 |
| Smiles: | C(CC(Nc1cccnc1[Cl])=O)Cn1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.0864 |
| logD: | -0.0884 |
| logSw: | -2.2817 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.75 |
| InChI Key: | TXGNTHPCOLFRJZ-UHFFFAOYSA-N |