Название: tert-butyl 2-[4-(2-bromo-5-chlorophenyl)-2-oxopyridin-1(2H)-yl]-3-(pyridin-4-yl)propanoate
SMILES:
CC(C)(C)OC(=O)C(Cc1ccncc1)n1ccc(-c2cc(Cl)ccc2Br)cc1=OMolecular Processing
Molecular formula
C23H22BrClN2O3
Molecular weight
489.8
Exact mass
488.0502
XLogP
5.45
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
121.67
Supplementary Information
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