CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)OCC(=O)c1ccc2cc(Br)ccc2n1
SMILES: CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)OCC(=O)c1ccc2cc(Br)ccc2n1

Molecular Processing

Molecular formula
C22H23BrN2O5
Molecular weight
475.34
Exact mass
474.079
XLogP
4.12
TPSA
85.8
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
113.11

Supplementary Information

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