이름: 3-(4-{4-[3-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-6-trifluoromethyl-pyrimidin-2-yl}-pyridin-2-yl)-benzenesulfonic acid tert-butylamide
SMILES:
CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)c(OCC(F)(F)F)c4)cc(C(F)(F)F)n3)ccn2)c1Molecular Processing
Molecular formula
C29H23F9N4O3S
Molecular weight
678.58
Exact mass
678.1347
XLogP
7.93
TPSA
94.07
H-bond donors
1
H-bond acceptors
6
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
17
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
147.76
Supplementary Information
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