이름: 2,4-dimethoxy-N-[1-(2′,4,4′-trifluoro-1,1′-biphenyl-2-yl)ethyl]benzenesulfonamide
SMILES:
COc1ccc(S(=O)(=O)NC(C)c2cc(F)ccc2-c2ccc(F)cc2F)c(OC)c1Molecular Processing
Molecular formula
C22H20F3NO4S
Molecular weight
451.47
Exact mass
451.1065
XLogP
4.83
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
110.03
Supplementary Information
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