Name: 5-bromo-6-chloro-N-(4-((chlorodifluoromethyl)thio)phenyl)nicotinamide
SMILES:
O=C(Nc1ccc(SC(F)(F)Cl)cc1)c1cnc(Cl)c(Br)c1Molecular Processing
Molecular formula
C13H7BrCl2F2N2OS
Molecular weight
428.08
Exact mass
425.8808
XLogP
5.63
TPSA
41.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
88
Supplementary Information
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