CCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1
SMILES: CCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1

Molecular Processing

Molecular formula
C25H25ClF2N8O3
Molecular weight
558.98
Exact mass
558.1706
XLogP
3.26
TPSA
109.89
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
138.94

Supplementary Information

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