SMILES:
Br.NC1N(CCN2CCCCC2)c2ccccc2N1CC(=O)c1ccc(Br)s1Molecular Processing
Molecular formula
C20H26Br2N4OS
Molecular weight
530.33
Exact mass
528.0194
XLogP
4.33
TPSA
52.81
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.45
Molar refractivity
126.07
Supplementary Information
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