SMILES:
Cc1n[nH]c2nc(-c3ccc(O)cc3F)cc(CN3CC(C)(C)OCC3(C)C)c12Molecular Processing
Molecular formula
C22H27FN4O2
Molecular weight
398.48
Exact mass
398.2118
XLogP
4.17
TPSA
74.27
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
110.2
Supplementary Information
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