SMILES:
COC(=O)CCC(C(N)=O)N1Cc2c(OCc3ccc(CBr)cc3)cccc2C1=OMolecular Processing
Molecular formula
C22H23BrN2O5
Molecular weight
475.34
Exact mass
474.079
XLogP
2.92
TPSA
98.93
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
113.95
Supplementary Information
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