SMILES:
CC(C)c1ccc(CNC(=O)C2CNCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Molecular Processing
Molecular formula
C22H26F3N3O3S
Molecular weight
469.53
Exact mass
469.1647
XLogP
3.11
TPSA
78.51
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
114.37
Supplementary Information
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