SMILES:
O=C(CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)NCCc1ccccc1Molecular Processing
Molecular formula
C21H20BrN3O3
Molecular weight
442.31
Exact mass
441.0688
XLogP
2.69
TPSA
83.96
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
111.66
Supplementary Information
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