SMILES:
Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1IMolecular Processing
Molecular formula
C23H28IN3O3
Molecular weight
521.4
Exact mass
521.1175
XLogP
4.91
TPSA
61.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
128.31
Supplementary Information
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