N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-1547 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 436.47 |
| Molecular Formula: | C22 H24 N6 O4 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1ccc(NC(c2ccc(Cn3cc(cn3)[N+]([O-])=O)o2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7868 |
| logD: | 3.7629 |
| logSw: | -4.0835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.558 |
| InChI Key: | BDVRGVHNNCZFIY-UHFFFAOYSA-N |