SMILES:
N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1N1CCCCC1Molecular Processing
Molecular formula
C22H19ClN6S2
Molecular weight
467.02
Exact mass
466.0801
XLogP
5.47
TPSA
102.62
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
126.26
Supplementary Information
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