Cc1nc(C)c(-c2cn(CCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)c(=O)[nH]c2=O)o1.Cl
SMILES: Cc1nc(C)c(-c2cn(CCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)c(=O)[nH]c2=O)o1.Cl

Molecular Processing

Molecular formula
C24H26ClF3N4O3
Molecular weight
510.94
Exact mass
510.1646
XLogP
3.91
TPSA
84.13
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.458
Molar refractivity
125.83

Supplementary Information

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