Cl.NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)CN(c3ncc(F)cn3)C[C@H]2CS1
SMILES: Cl.NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)CN(c3ncc(F)cn3)C[C@H]2CS1

Molecular Processing

Molecular formula
C22H19ClF3N7OS
Molecular weight
521.96
Exact mass
521.1012
XLogP
3.36
TPSA
109.39
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.227
Molar refractivity
129.25

Supplementary Information

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