SMILES:
CSc1nc(OCCCC(C)C)c(C#N)c(N2CCc3ccccc3CC2)n1Molecular Processing
Molecular formula
C22H28N4OS
Molecular weight
396.56
Exact mass
396.1984
XLogP
4.49
TPSA
62.04
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
114.16
Supplementary Information
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