SMILES:
Cc1cccc(-c2cn(CCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)c(=O)[nH]c2=O)n1.Cl.ClMolecular Processing
Molecular formula
C25H27Cl2F3N4O2
Molecular weight
543.42
Exact mass
542.1463
XLogP
4.43
TPSA
70.99
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
3
Fraction Csp3
0.4
Molar refractivity
136.07
Supplementary Information
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