Название: 4-(5-benzyl-2-(4-cyanophenylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
SMILES:
Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ccn(Cc3ccccc3)c12Molecular Processing
Molecular formula
C29H22N6O
Molecular weight
470.54
Exact mass
470.1855
XLogP
6.38
TPSA
99.55
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.103
Molar refractivity
138.22
Supplementary Information
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