SMILES:
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ncc(C#N)cn2)c1Molecular Processing
Molecular formula
C22H24N8O
Molecular weight
416.49
Exact mass
416.2073
XLogP
2.59
TPSA
112.62
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
114.56
Supplementary Information
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