Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)ncc2Br)c(C)c1
SMILES: Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)ncc2Br)c(C)c1

Molecular Processing

Molecular formula
C20H18BrN5
Molecular weight
408.3
Exact mass
407.0746
XLogP
5.52
TPSA
73.63
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
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
0.15
Molar refractivity
108.11

Supplementary Information

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