SMILES:
O=C(OCC(=O)N1CCCCC1)c1cccc(CN2CN(c3ccccc3)C3(CCNCC3)C2=O)c1Molecular Processing
Molecular formula
C28H34N4O4
Molecular weight
490.6
Exact mass
490.258
XLogP
2.78
TPSA
82.19
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
136.33
Supplementary Information
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