SMILES:
CC(C)(C)Cn1c(CN2CCN(c3ccc(O)cc3)CC2)cc2cnc(C#N)nc21Molecular Processing
Molecular formula
C23H28N6O
Molecular weight
404.52
Exact mass
404.2325
XLogP
3.38
TPSA
81.21
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
117.29
Supplementary Information
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