SMILES:
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccccn3)ncc12Molecular Processing
Molecular formula
C18H18BrN5O
Molecular weight
400.28
Exact mass
399.0695
XLogP
4.12
TPSA
72.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
101.26
Supplementary Information
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