SMILES:
CC(C)(C)OC(=O)N1CCOCC1C(=O)NCC(=O)c1ccc(Br)cc1Molecular Processing
Molecular formula
C18H23BrN2O5
Molecular weight
427.3
Exact mass
426.079
XLogP
2.38
TPSA
84.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
99.03
Supplementary Information
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