SMILES:
CCC(C)(C)Cc1cn(S(=O)(=O)N(C)C)c(C(O)C(C)(O)c2ccc(-c3ccccn3)cc2)n1Molecular Processing
Molecular formula
C25H34N4O4S
Molecular weight
486.64
Exact mass
486.2301
XLogP
3.52
TPSA
108.55
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
132.21
Supplementary Information
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