SMILES:
Cc1cc(-c2nc(N3CCOCC3)c3cc(CN4CCN(S(C)(=O)=O)CC4)sc3n2)cnc1CMolecular Processing
Molecular formula
C23H30N6O3S2
Molecular weight
502.67
Exact mass
502.1821
XLogP
2.28
TPSA
91.76
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
134.85
Supplementary Information
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