Name: tert-butyl 4-({2-[4-(5-chloro-2-nitrophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]propanoyl}amino)benzoate
SMILES:
COc1cn(C(C)C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)cc1-c1cc(Cl)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C26H26ClN3O7
Molecular weight
527.96
Exact mass
527.1459
XLogP
5.24
TPSA
129.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
139.31
Supplementary Information
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