SMILES:
Cc1ccc(-n2cccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(Cl)cn2)n1Molecular Processing
Molecular formula
C22H25ClN6O
Molecular weight
424.94
Exact mass
424.1778
XLogP
3.98
TPSA
75.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
117.06
Supplementary Information
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