SMILES:
CC(C)n1nc(-c2nc(C#Cc3ccccn3)c(N)nc2-c2ccccc2)ccc1=OMolecular Processing
Molecular formula
C24H20N6O
Molecular weight
408.47
Exact mass
408.1699
XLogP
3.33
TPSA
99.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
119.97
Supplementary Information
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