이름: title compound
SMILES:
CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1Molecular Processing
Molecular formula
C40H33F3N4O3
Molecular weight
674.72
Exact mass
674.2505
XLogP
8.25
TPSA
83.44
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
50
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
187.32
Supplementary Information
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