SMILES:
O=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4cc(F)ncc4OCCO)c3s2)n1Molecular Processing
Molecular formula
C24H22F2N6O3S
Molecular weight
512.54
Exact mass
512.1442
XLogP
3.51
TPSA
112.5
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
132.04
Supplementary Information
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