SMILES:
Cc1nc(NC(=O)OC(C)(C)C)cc(-c2ccncc2NC(=O)c2nc(Br)c(F)cc2N)n1Molecular Processing
Molecular formula
C21H21BrFN7O3
Molecular weight
518.35
Exact mass
517.0873
XLogP
4.33
TPSA
145.01
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
124.12
Supplementary Information
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