CCOC(=O)[C@@H](OC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)c1ccc(Br)cc1
SMILES: CCOC(=O)[C@@H](OC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)c1ccc(Br)cc1

Molecular Processing

Molecular formula
C21H26BrNO7
Molecular weight
484.34
Exact mass
483.0893
XLogP
3.51
TPSA
99.21
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
110.95

Supplementary Information

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