4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C163-0107 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide |
| Molecular Weight: | 459.84 |
| Molecular Formula: | C20 H18 Cl N5 O6 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1cc(cc(c1)Oc1ccccc1)[N+]([O-])=O)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.725 |
| logD: | 3.7214 |
| logSw: | -4.5296 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.515 |
| InChI Key: | PAKIZDPVBPVUDX-UHFFFAOYSA-N |