SMILES:
Fc1ccc(-n2ncnc2-c2cc3c(s2)-c2nc(NCCc4ccccc4)ccc2OCC3)c(F)c1Molecular Processing
Molecular formula
C27H21F2N5OS
Molecular weight
501.56
Exact mass
501.1435
XLogP
5.93
TPSA
64.86
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.148
Molar refractivity
135.65
Supplementary Information
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