CN(Cc1cn(C)cn1)CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1
SMILES: CN(Cc1cn(C)cn1)CC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1

Molecular Processing

Molecular formula
C24H30F3N5O3S2
Molecular weight
557.66
Exact mass
557.1742
XLogP
3.26
TPSA
81.91
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
135.82

Supplementary Information

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