SMILES:
CN1CCN(c2ccc(S(=O)(=O)[C@H]3CCN(c4nccc(C#N)n4)C3)c(Cl)c2)CC1Molecular Processing
Molecular formula
C20H23ClN6O2S
Molecular weight
446.96
Exact mass
446.1292
XLogP
1.81
TPSA
93.43
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
115.71
Supplementary Information
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