SMILES:
Nc1nc(C(=O)N2C(CNC(=O)c3cccc4c3OC(F)(F)O4)CC3CC32)c(-c2cccc(F)c2)s1Molecular Processing
Molecular formula
C24H19F3N4O4S
Molecular weight
516.5
Exact mass
516.1079
XLogP
3.89
TPSA
106.78
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
123.37
Supplementary Information
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