SMILES:
Cn1nc(CC2CCN(C(=O)C3CC3)C2)n(-c2ccc(-c3ccc4occc4c3)cc2)c1=OMolecular Processing
Molecular formula
C26H26N4O3
Molecular weight
442.52
Exact mass
442.2005
XLogP
3.79
TPSA
73.27
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
125.13
Supplementary Information
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