SMILES:
Cc1ccc(CCNc2nccc(-c3cccc(CN(CCCN)S(C)(=O)=O)c3)n2)cc1Molecular Processing
Molecular formula
C24H31N5O2S
Molecular weight
453.61
Exact mass
453.2198
XLogP
3.22
TPSA
101.21
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
129.77
Supplementary Information
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