Название: N-(2-bromo-5-cyano-3,3′-dihydroxy-6-methylbiphenyl-4-yl)-2,2-dimethylpropionamide
SMILES:
Cc1c(C#N)c(NC(=O)C(C)(C)C)c(O)c(Br)c1-c1cccc(O)c1Molecular Processing
Molecular formula
C19H19BrN2O3
Molecular weight
403.28
Exact mass
402.0579
XLogP
4.69
TPSA
93.35
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
100.44
Supplementary Information
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