SMILES:
COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NCC5CCCCC5)sc4c3)cnc2Cl)cc1Molecular Processing
Molecular formula
C26H27ClN4O3S2
Molecular weight
543.11
Exact mass
542.1213
XLogP
6.81
TPSA
93.21
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
146.73
Supplementary Information
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