SMILES:
CN(C)C1CCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1Molecular Processing
Molecular formula
C25H28N6O2
Molecular weight
444.54
Exact mass
444.2274
XLogP
3.14
TPSA
104.45
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
128.89
Supplementary Information
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