N-[(adamantan-1-yl)methyl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
N-[(adamantan-1-yl)methyl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8013-4056 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C18 H26 N4 O3 |
| Smiles: | Cc1c(c(C)n(CC(NCC23CC4CC(CC(C4)C3)C2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0728 |
| logD: | 3.0728 |
| logSw: | -3.2077 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.805 |
| InChI Key: | NYKVLEODDYTYNZ-UHFFFAOYSA-N |