SMILES:
COc1cc(C(C#N)Nc2ccc(-c3noc(C)n3)cc2)cc2c1OCC2Molecular Processing
Molecular formula
C20H18N4O3
Molecular weight
362.39
Exact mass
362.1379
XLogP
3.67
TPSA
93.2
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
98.64
Supplementary Information
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