SMILES:
CNCC(C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12Molecular Processing
Molecular formula
C24H24ClN5O2
Molecular weight
449.94
Exact mass
449.1619
XLogP
4.99
TPSA
81.19
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
126.86
Supplementary Information
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