SMILES:
Nc1ccn(-c2ccc(-n3cc(CNC(=O)c4ccc(Cl)s4)nn3)cc2)c(=O)n1Molecular Processing
Molecular formula
C18H14ClN7O2S
Molecular weight
427.88
Exact mass
427.0618
XLogP
2.04
TPSA
120.72
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
109.66
Supplementary Information
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