SMILES:
N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1N1CCC(O)CC1Molecular Processing
Molecular formula
C22H19ClN6OS2
Molecular weight
483.02
Exact mass
482.075
XLogP
4.44
TPSA
122.85
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
127.65
Supplementary Information
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