SMILES:
CC1CC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(-c4ncccn4)cc3)CC2(C)C1C(=O)C1CC1Molecular Processing
Molecular formula
C33H36N2O2
Molecular weight
492.66
Exact mass
492.2777
XLogP
6.88
TPSA
59.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
37
Rings
7
Aromatic rings
2
Saturated rings
3
Aliphatic rings
5
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.515
Molar refractivity
143.5
Supplementary Information
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