Nombre: 4-bromo-5-(4-methyl-2-oxo-4-phenyl-valeroylamino)-phthalide
SMILES:
CC(C)(CC(=O)C(=O)Nc1ccc2c(c1Br)COC2=O)c1ccccc1Molecular Processing
Molecular formula
C20H18BrNO4
Molecular weight
416.27
Exact mass
415.0419
XLogP
4
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
100.98
Supplementary Information
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