Name: tert-butyl 2-(2-amino-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)benzamido)acetate
SMILES:
CC(C)(C)OC(=O)CNC(=O)c1cc(N2CCN3CCC2CC3)ccc1NMolecular Processing
Molecular formula
C20H30N4O3
Molecular weight
374.49
Exact mass
374.2318
XLogP
1.62
TPSA
87.9
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
105.84
Supplementary Information
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