SMILES:
Cc1cc(-c2cn(CCNCC3CC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccc1FMolecular Processing
Molecular formula
C26H33FN8O
Molecular weight
492.6
Exact mass
492.2761
XLogP
2.85
TPSA
127.98
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
137.1
Supplementary Information
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