CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3c(c2)cc(C#CCN(C)C)n3S(=O)(=O)c2ccccc2)c1F
SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3c(c2)cc(C#CCN(C)C)n3S(=O)(=O)c2ccccc2)c1F

Molecular Processing

Molecular formula
C28H27F2N5O5S2
Molecular weight
615.68
Exact mass
615.1422
XLogP
3.87
TPSA
130.47
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
156.2

Supplementary Information

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