CN(C(=O)c1ccc(Cl)cc1)C1CCN(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1c1ccc(Cl)c(Cl)c1
SMILES: CN(C(=O)c1ccc(Cl)cc1)C1CCN(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1c1ccc(Cl)c(Cl)c1

Molecular Processing

Molecular formula
C26H24Cl3F3N6O2
Molecular weight
615.87
Exact mass
614.0978
XLogP
5.82
TPSA
74.57
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
143.56

Supplementary Information

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