N-(5-chloro-2-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(5-chloro-2-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(5-chloro-2-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0464 |
| Compound Name: | N-(5-chloro-2-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 325.71 |
| Molecular Formula: | C12 H12 Cl N5 O4 |
| Smiles: | C(CC(Nc1cc(ccc1O)[Cl])=O)Cn1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7323 |
| logD: | 0.7264 |
| logSw: | -2.4564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.613 |
| InChI Key: | VZHONZZVNJHAFU-UHFFFAOYSA-N |