SMILES:
CCOC(=O)C1(Cc2ccc(Br)cc2)CCCN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C19H26BrNO4
Molecular weight
412.32
Exact mass
411.1045
XLogP
4.32
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
99.38
Supplementary Information
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