名称: title compound
SMILES:
CCOC(=O)C1CCN(c2nc(N)nc(C)c2C#Cc2ccc(N)nc2)CC1Molecular Processing
Molecular formula
C20H24N6O2
Molecular weight
380.45
Exact mass
380.1961
XLogP
1.52
TPSA
120.25
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
107.38
Supplementary Information
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