SMILES:
CCCn1ncc(Cl)c1-c1csc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)c1Molecular Processing
Molecular formula
C29H24ClF3N4O3S
Molecular weight
601.05
Exact mass
600.121
XLogP
6.33
TPSA
84.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
149.05
Supplementary Information
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