SMILES:
CS(=O)(=O)c1ccc(N2CCc3c(OC4CCN(c5ncc(Br)cn5)CC4)cccc32)cc1Molecular Processing
Molecular formula
C24H25BrN4O3S
Molecular weight
529.46
Exact mass
528.0831
XLogP
4.38
TPSA
75.63
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
132.3
Supplementary Information
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