Name: di-tert-butyl (7-bromo-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)imidodicarbonate
SMILES:
CN1Cc2c(Br)ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2C1=OMolecular Processing
Molecular formula
C19H25BrN2O5
Molecular weight
441.32
Exact mass
440.0947
XLogP
4.71
TPSA
76.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
104.89
Supplementary Information
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