Cc1cc2c(cc1Br)N1CCc3cccc(c31)C(N1CCN(C)CC1)=N2
SMILES: Cc1cc2c(cc1Br)N1CCc3cccc(c31)C(N1CCN(C)CC1)=N2

Molecular Processing

Molecular formula
C21H23BrN4
Molecular weight
411.35
Exact mass
410.1106
XLogP
4.09
TPSA
22.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
111.3

Supplementary Information

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