SMILES:
Cc1nccc(C(=O)N[C@H]2C[C@H](F)CC3(CCN(c4cc(F)cc(F)c4)C3=O)C2)n1Molecular Processing
Molecular formula
C21H21F3N4O2
Molecular weight
418.42
Exact mass
418.1617
XLogP
3.11
TPSA
75.19
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
102.53
Supplementary Information
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