5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[(1-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-1H-pyrazol-3-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[(1-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-1H-pyrazol-3-yl)methyl]furan-2-carboxamide
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[(1-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-1H-pyrazol-3-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-4204 |
| Compound Name: | 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[(1-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-1H-pyrazol-3-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 591.54 |
| Molecular Formula: | C26 H25 N9 O8 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(NCc3ccn(C(c4ccc(Cn5c(C)c(c(C)n5)[N+]([O-])=O)o4)=O)n3)=O)o2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4164 |
| logD: | 1.4164 |
| logSw: | -2.3541 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 162.389 |
| InChI Key: | IWXIACXZFHPMDW-UHFFFAOYSA-N |