SMILES:
Cc1nc(C(=O)N2CCC[C@H]2CNc2ncc(C(F)(F)F)cn2)c(-c2ccc(F)cc2)s1Molecular Processing
Molecular formula
C21H19F4N5OS
Molecular weight
465.48
Exact mass
465.1246
XLogP
4.78
TPSA
71.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
111.83
Supplementary Information
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