SMILES:
CCNCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)cc1Molecular Processing
Molecular formula
C25H32N4O3S
Molecular weight
468.62
Exact mass
468.2195
XLogP
3.57
TPSA
108.29
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
132.64
Supplementary Information
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