SMILES:
Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C3CC3)nc2)[C@@H](C)C1Molecular Processing
Molecular formula
C22H24N4O3S
Molecular weight
424.53
Exact mass
424.1569
XLogP
2.67
TPSA
94.37
H-bond donors
0
H-bond acceptors
5
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
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
111.36
Supplementary Information
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