Name: 3-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES:
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CBrMolecular Processing
Molecular formula
C21H19BrN2O4
Molecular weight
443.3
Exact mass
442.0528
XLogP
2.92
TPSA
75.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
105.89
Supplementary Information
An 44 Reaktionen beteiligt→