SMILES:
CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2Br)nc1Molecular Processing
Molecular formula
C21H24BrN5O4S2
Molecular weight
554.49
Exact mass
553.0453
XLogP
4.31
TPSA
116.19
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
130.49
Supplementary Information
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