이름: ethyl 4-(4′-amino-1,1′-biphenyl-4-yl)-4-oxo-2-(2-phenylethyl)butanoate
SMILES:
CCOC(=O)C(CCc1ccccc1)CC(=O)c1ccc(-c2ccc(N)cc2)cc1Molecular Processing
Molecular formula
C26H27NO3
Molecular weight
401.51
Exact mass
401.1991
XLogP
5.32
TPSA
69.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
120.12
Supplementary Information
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