이름: title compound
SMILES:
CCN(C)c1cc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cnc1CMolecular Processing
Molecular formula
C25H27N7O
Molecular weight
441.54
Exact mass
441.2277
XLogP
3.75
TPSA
73.77
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
132.23
Supplementary Information
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