Cc1cc(N2CC(S(=O)(=O)c3ccc(F)cc3Cl)CC2C(=O)NC2(C#N)CC2)n(CCc2ccccc2)n1
SMILES: Cc1cc(N2CC(S(=O)(=O)c3ccc(F)cc3Cl)CC2C(=O)NC2(C#N)CC2)n(CCc2ccccc2)n1

Molecular Processing

Molecular formula
C27H27ClFN5O3S
Molecular weight
556.06
Exact mass
555.1507
XLogP
3.82
TPSA
108.09
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
140.97

Supplementary Information

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