N-(adamantan-1-yl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine-1-carboxamide
N-(adamantan-1-yl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | 8016-9606 |
| Compound Name: | N-(adamantan-1-yl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine-1-carboxamide |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C26 H34 N6 O3 |
| Smiles: | Cc1cc(C)n(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(NC23CC4CC(CC(C4)C3)C2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0351 |
| logD: | 4.035 |
| logSw: | -4.1836 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.637 |
| InChI Key: | NJWSLVNHDQJJHE-UHFFFAOYSA-N |