Name: 6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-nitrophenyl)-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-4-amine
SMILES:
O=[N+]([O-])c1ccc(-c2nc(NC3CCOCC3)cc(N3C4CCC3COC4)n2)cc1Molecular Processing
Molecular formula
C21H25N5O4
Molecular weight
411.46
Exact mass
411.1907
XLogP
3.01
TPSA
102.65
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
111.69
Supplementary Information
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