SMILES:
c1cnc2c(c1)CCCC2N(Cc1ccc(CNCc2nc3ccccc3[nH]2)cc1)Cc1nc2ccccc2[nH]1Molecular Processing
Molecular formula
C33H33N7
Molecular weight
527.68
Exact mass
527.2797
XLogP
6.2
TPSA
85.52
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
40
Rings
7
Aromatic rings
6
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.242
Molar refractivity
158.34
Supplementary Information
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