SMILES:
N#Cc1cccc(C2=Nc3cc(N4CCSCC4)c(I)cc3NC(=O)C2)c1Molecular Processing
Molecular formula
C20H17IN4OS
Molecular weight
488.35
Exact mass
488.0168
XLogP
4.18
TPSA
68.49
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
119.3
Supplementary Information
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Involved in 1 reactions→