N-(2-chloro-4-nitrophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2-chloro-4-nitrophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(2-chloro-4-nitrophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0129 |
| Compound Name: | N-(2-chloro-4-nitrophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 367.75 |
| Molecular Formula: | C14 H14 Cl N5 O5 |
| Smiles: | Cc1cc(nn1CCCC(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4136 |
| logD: | 1.0203 |
| logSw: | -2.743 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.824 |
| InChI Key: | ZFRIWIIQBJEYEG-UHFFFAOYSA-N |