SMILES:
Cc1ccc2nc(CCc3cccc(Br)c3)c(NC3CCCCC3)n2c1Molecular Processing
Molecular formula
C22H26BrN3
Molecular weight
412.38
Exact mass
411.131
XLogP
5.94
TPSA
29.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
111.97
Supplementary Information
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