1-(adamantan-1-yl)-4-nitro-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-4-nitro-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-4-nitro-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
Compound characteristics
Compound ID: | C301-3354 |
Compound Name: | 1-(adamantan-1-yl)-4-nitro-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide |
Molecular Weight: | 408.5 |
Molecular Formula: | C23 H28 N4 O3 |
Smiles: | CC(CNC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O)c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.901 |
logD: | 4.901 |
logSw: | -4.5475 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.328 |
InChI Key: | DADNQLGMKARQBS-SCUMNGBJSA-N |