SMILES:
CC(=O)Nc1cccc2c1CCN(C(=O)c1cc3ncc(Br)cn3n1)C2Molecular Processing
Molecular formula
C18H16BrN5O2
Molecular weight
414.26
Exact mass
413.0487
XLogP
2.65
TPSA
79.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
99.88
Supplementary Information
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