SMILES:
Cn1ccc2c1C(O)CN(CCCN1CCN(c3ccc(F)cc3)CC1)S2(=O)=OMolecular Processing
Molecular formula
C20H27FN4O3S
Molecular weight
422.53
Exact mass
422.1788
XLogP
1.41
TPSA
69.02
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
108.8
Supplementary Information
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