Nombre: methyl 2-(4-(4-(5-aminopyridin-2-yl)phenyl)-2-oxabicyclo[2.2.2]octan-1-yl)acetate
SMILES:
COC(=O)CC12CCC(c3ccc(-c4ccc(N)cn4)cc3)(CC1)CO2Molecular Processing
Molecular formula
C21H24N2O3
Molecular weight
352.43
Exact mass
352.1787
XLogP
3.47
TPSA
74.44
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
99.55
Supplementary Information
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