4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]butanamide
Compound characteristics
| Compound ID: | C163-0331 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]butanamide |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C23 H25 N5 O6 |
| Smiles: | Cc1ccc(C)c(c1)Oc1cc(cc(c1)[N+]([O-])=O)NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9718 |
| logD: | 3.9682 |
| logSw: | -4.1916 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.644 |
| InChI Key: | ALOBBIRGYDZNEJ-UHFFFAOYSA-N |