SMILES:
CCOc1cccc(-c2cc(OC)nc3ccc(C(O)(c4ccc(Cl)nc4)c4cncn4C)cc23)c1Molecular Processing
Molecular formula
C28H25ClN4O3
Molecular weight
500.99
Exact mass
500.1615
XLogP
5.38
TPSA
82.29
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
139.46
Supplementary Information
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