이름: 3′-{4-[3-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-6-trifluoromethyl-pyrimidin-2-yl}-biphenyl-3-sulfonic acid tert-butylamide
SMILES:
CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)c(OCC(F)(F)F)c4)cc(C(F)(F)F)n3)c2)c1Molecular Processing
Molecular formula
C30H24F9N3O3S
Molecular weight
677.59
Exact mass
677.1395
XLogP
8.53
TPSA
81.18
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
46
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
149.97
Supplementary Information
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