SMILES:
O=C(CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)NC1CCCCC1Molecular Processing
Molecular formula
C19H22BrN3O3
Molecular weight
420.31
Exact mass
419.0845
XLogP
2.78
TPSA
83.96
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
103.52
Supplementary Information
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