SMILES:
Nc1ncc(Br)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1Molecular Processing
Molecular formula
C19H17BrN4O2
Molecular weight
413.28
Exact mass
412.0535
XLogP
2.95
TPSA
101.13
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
103.32
Supplementary Information
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