CN1c2cc(-c3cnc(N4CCOCC4)c4nc(/C=C/c5ccc6ccccc6n5)cn34)ccc2NS1(=O)=O.O=C(O)C(F)(F)F
SMILES: CN1c2cc(-c3cnc(N4CCOCC4)c4nc(/C=C/c5ccc6ccccc6n5)cn34)ccc2NS1(=O)=O.O=C(O)C(F)(F)F

Molecular Processing

Molecular formula
C30H26F3N7O5S
Molecular weight
653.64
Exact mass
653.1668
XLogP
4.69
TPSA
142.26
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
46
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
2
Fraction Csp3
0.2
Molar refractivity
166.76

Supplementary Information

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