SMILES:
COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(Br)c(C)n2)cc1Molecular Processing
Molecular formula
C21H22BrN3O2
Molecular weight
428.33
Exact mass
427.0895
XLogP
4.77
TPSA
47.48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
110.34
Supplementary Information
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