SMILES:
O=C1CCN(c2ccc(C(F)(F)F)cn2)C[C@H]2C[C@H](Oc3cnc(C4CC4)cn3)CN12Molecular Processing
Molecular formula
C21H22F3N5O2
Molecular weight
433.43
Exact mass
433.1726
XLogP
3.03
TPSA
71.45
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
104.61
Supplementary Information
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