1-(adamantan-1-yl)-4-nitro-N-(4-phenylbutan-2-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-4-nitro-N-(4-phenylbutan-2-yl)-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-4-nitro-N-(4-phenylbutan-2-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E558-0256 |
| Compound Name: | 1-(adamantan-1-yl)-4-nitro-N-(4-phenylbutan-2-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C24 H30 N4 O3 |
| Smiles: | CC(CCc1ccccc1)NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6824 |
| logD: | 4.6824 |
| logSw: | -4.3647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.77 |
| InChI Key: | ZNFNLEWLDYKSHB-QNHAZURESA-N |