الاسم: 1-(4-methoxy-benzyl)-2,2-dimethyl-4-(5-nitro-pyridin-2-ylmethyl)-piperazine
SMILES:
COc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cn3)CC2(C)C)cc1Molecular Processing
Molecular formula
C20H26N4O3
Molecular weight
370.45
Exact mass
370.2005
XLogP
3.09
TPSA
71.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
103.65
Supplementary Information
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