SMILES:
CCCCn1c(=O)c2c(nc(C)n2S(=O)(=O)c2ccc(C)cc2)n(CCCC)c1=OMolecular Processing
Molecular formula
C21H28N4O4S
Molecular weight
432.55
Exact mass
432.1831
XLogP
2.81
TPSA
95.96
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
116.57
Supplementary Information
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