SMILES:
Cc1nc(NC(=O)CCCBr)sc1C(=O)NCc1ccc(F)cc1Molecular Processing
Molecular formula
C16H17BrFN3O2S
Molecular weight
414.3
Exact mass
413.0209
XLogP
3.63
TPSA
71.09
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
96.08
Supplementary Information
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