SMILES:
CCCCc1nc(C(O)(CC)CC)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1Molecular Processing
Molecular formula
C27H32N6O3
Molecular weight
488.59
Exact mass
488.2536
XLogP
4.83
TPSA
129.81
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
136.43
Supplementary Information
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