CS(=O)(=O)c1cccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)c1
SMILES: CS(=O)(=O)c1cccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)c1

Molecular Processing

Molecular formula
C25H32N8O3S
Molecular weight
524.65
Exact mass
524.2318
XLogP
1.51
TPSA
153.33
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
140.98

Supplementary Information

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