5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-8204 |
| Compound Name: | 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide |
| Molecular Weight: | 505.49 |
| Molecular Formula: | C25 H23 N5 O7 |
| Smiles: | Cc1cc(C)cc(c1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1ccc(Cn2c(C)c(c(C)n2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3497 |
| logD: | 5.344 |
| logSw: | -5.3274 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.362 |
| InChI Key: | XJMBGKHVYNUKLO-UHFFFAOYSA-N |