Name: tert-butyl[5-(4-bromophenyl)-5H-imidazo[2,1-a]isoindol-5-yl]acetate
SMILES:
CC(C)(C)OC(=O)CC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21Molecular Processing
Molecular formula
C22H21BrN2O2
Molecular weight
425.33
Exact mass
424.0786
XLogP
5.15
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
108.45
Supplementary Information
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