SMILES:
CCc1c(C(=O)c2cc(C)cc(C)c2)n(Cc2ccccc2C#N)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C23H21N3O3
Molecular weight
387.44
Exact mass
387.1583
XLogP
2.87
TPSA
95.72
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
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
0.217
Molar refractivity
110.31
Supplementary Information
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