Cn1nnn(-c2cc(Nc3ncc(F)c(NC4CC5CCCN5C(C)(C)C4)n3)ccc2OC2CCOCC2)c1=O
SMILES: Cn1nnn(-c2cc(Nc3ncc(F)c(NC4CC5CCCN5C(C)(C)C4)n3)ccc2OC2CCOCC2)c1=O

Molecular Processing

Molecular formula
C27H36FN9O3
Molecular weight
553.64
Exact mass
553.2925
XLogP
3.01
TPSA
124.25
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
40
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
146.79

Supplementary Information

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