Nc1ncnn2c(C(=O)CN3CCOCC3)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
SMILES: Nc1ncnn2c(C(=O)CN3CCOCC3)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12

Molecular Processing

Molecular formula
C26H23F4N7O3
Molecular weight
557.51
Exact mass
557.1799
XLogP
4.3
TPSA
126.88
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
138.47

Supplementary Information

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