O=C(O)C1CCN(Cc2cc(Oc3ccc4c(ccn4C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3)ncn2)CC1
SMILES: O=C(O)C1CCN(Cc2cc(Oc3ccc4c(ccn4C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3)ncn2)CC1

Molecular Processing

Molecular formula
C27H23F4N5O4
Molecular weight
557.5
Exact mass
557.1686
XLogP
5.76
TPSA
109.58
H-bond donors
2
H-bond acceptors
6
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
13
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
135.5

Supplementary Information

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