SMILES:
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]c2nc(C)nn12Molecular Processing
Molecular formula
C23H21N5O
Molecular weight
383.46
Exact mass
383.1746
XLogP
3.81
TPSA
86.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
111.74
Supplementary Information
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