이름: 4-(7-(4-(tert-Butoxycarbonyl)phenyl)-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-4-oxobutanoic acid
SMILES:
Cn1c(=O)c(C(=O)CCC(=O)O)c(O)c2ccc(-c3ccc(C(=O)OC(C)(C)C)cc3)cc21Molecular Processing
Molecular formula
C25H25NO7
Molecular weight
451.48
Exact mass
451.1631
XLogP
3.91
TPSA
122.9
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
122.66
Supplementary Information
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