名称: title compound
SMILES:
Cc1nc(N)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1C#Cc1ccc(N)nc1Molecular Processing
Molecular formula
C21H27N7O2
Molecular weight
409.49
Exact mass
409.2226
XLogP
1.8
TPSA
123.49
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
1
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
115.83
Supplementary Information
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