SMILES:
COCCC1CN(C2=Nc3ccccc3Nc3sc(C(F)(F)F)nc32)CCN1CCOMolecular Processing
Molecular formula
C20H24F3N5O2S
Molecular weight
455.51
Exact mass
455.1603
XLogP
3.31
TPSA
73.22
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
113.55
Supplementary Information
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