SMILES:
CCOC(=O)c1cn(C)nc1NCc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C21H20N4O2
Molecular weight
360.42
Exact mass
360.1586
XLogP
3.75
TPSA
79.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
103.08
Supplementary Information
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