N-(adamantan-2-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(adamantan-2-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(adamantan-2-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-4615 |
| Compound Name: | N-(adamantan-2-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C21 H24 N4 O4 |
| Smiles: | C1C2CC3CC1CC(C2)C3NC(c1ccn(COc2ccccc2[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9156 |
| logD: | 3.9156 |
| logSw: | -4.2904 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.529 |
| InChI Key: | NPICFLOPAKZSJZ-UHFFFAOYSA-N |