CCCc1nc2c(C)cc(-c3cn(CC4CCC4)cn3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
SMILES: CCCc1nc2c(C)cc(-c3cn(CC4CCC4)cn3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

Molecular Processing

Molecular formula
C33H34N8
Molecular weight
542.69
Exact mass
542.2906
XLogP
6.86
TPSA
90.1
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
41
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.303
Molar refractivity
161.18

Supplementary Information

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