SMILES:
CS(=O)(=O)c1ccc(N2CCc3c(OC4CCN(c5ncc(Br)cn5)CC4)ncnc32)c(F)c1Molecular Processing
Molecular formula
C22H22BrFN6O3S
Molecular weight
549.43
Exact mass
548.0641
XLogP
3.31
TPSA
101.41
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
127.85
Supplementary Information
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