N=C(c1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1)N1CCCC1
SMILES: N=C(c1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1)N1CCCC1

Molecular Processing

Molecular formula
C25H28N6O5S2
Molecular weight
556.67
Exact mass
556.1563
XLogP
2.88
TPSA
174.55
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
145

Supplementary Information

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