SMILES:
CSc1nc(OCCN2CCCC2=O)c(C#N)c(N2CCc3ccccc3CC2)n1Molecular Processing
Molecular formula
C22H25N5O2S
Molecular weight
423.54
Exact mass
423.1729
XLogP
2.68
TPSA
82.35
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
115.9
Supplementary Information
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