Cc1ccccc1N1CCN(c2cccc(C3CC(C)(C)c4cc(F)cc(C(=O)NS(C)(=O)=O)c4N3)c2)CC1
SMILES: Cc1ccccc1N1CCN(c2cccc(C3CC(C)(C)c4cc(F)cc(C(=O)NS(C)(=O)=O)c4N3)c2)CC1

Molecular Processing

Molecular formula
C30H35FN4O3S
Molecular weight
550.7
Exact mass
550.2414
XLogP
4.98
TPSA
81.75
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
154.76

Supplementary Information

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