SMILES:
CC(=O)N(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C1CCC1Molecular Processing
Molecular formula
C28H28ClN5O3
Molecular weight
518.02
Exact mass
517.1881
XLogP
5.78
TPSA
89.47
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
143.36
Supplementary Information
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