이름: 4-(3-bromo-4-fluorophenyl)-3-[4-({4-[(1,1-dioxidothiomorpholin-4-yl)methyl]benzyl}amino)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5(4H)-one trifluoroacetate
SMILES:
O=C(O)C(F)(F)F.O=c1onc(-c2nonc2NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1-c1ccc(F)c(Br)c1Molecular Processing
Molecular formula
C24H21BrF4N6O7S
Molecular weight
693.43
Exact mass
692.0312
XLogP
3.25
TPSA
173.66
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
2
Fraction Csp3
0.292
Molar refractivity
144.44
Supplementary Information
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