SMILES:
OCCOc1cnc(F)cc1-c1cccc2cc(-c3nc(NCCn4ccnn4)ncc3F)sc12Molecular Processing
Molecular formula
C23H19F2N7O2S
Molecular weight
495.52
Exact mass
495.1289
XLogP
3.77
TPSA
110.87
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
127.09
Supplementary Information
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