N[C@]1(C(F)(F)F)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccn[nH]2)C1
SMILES: N[C@]1(C(F)(F)F)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccn[nH]2)C1

Molecular Processing

Molecular formula
C21H18F6N6O2
Molecular weight
500.4
Exact mass
500.1395
XLogP
4.09
TPSA
109.16
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
112.7

Supplementary Information

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