이름: 4,4-dimethyl-3-((3-((3-(trifluoromethyl)phenyl)ethynyl) imidazo[1,2-a]pyridin-2-yl)methylthio)dihydrofuran-2(3H)-one
SMILES:
CC1(C)COC(=O)C1SCc1nc2ccccn2c1C#Cc1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C23H19F3N2O2S
Molecular weight
444.48
Exact mass
444.1119
XLogP
4.94
TPSA
43.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
112.44
Supplementary Information
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