N-[2-(adamantan-1-yl)ethyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[2-(adamantan-1-yl)ethyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
N-[2-(adamantan-1-yl)ethyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8018-4521 |
| Compound Name: | N-[2-(adamantan-1-yl)ethyl]-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 360.46 |
| Molecular Formula: | C19 H28 N4 O3 |
| Smiles: | C(CC(NCCC12CC3CC(CC(C3)C2)C1)=O)Cn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.274 |
| logD: | 2.274 |
| logSw: | -2.4848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.45 |
| InChI Key: | XUKZXBRKHNPHBA-UHFFFAOYSA-N |