名称: N-(4-chloro-3-(1-(2-fluoro-4-iodophenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)benzyl)-2,2,2-trifluoroacetamide
SMILES:
O=C(NCc1ccc(Cl)c(-c2nn(-c3ccc(I)cc3F)c(=O)[nH]2)c1)C(F)(F)FMolecular Processing
Molecular formula
C17H10ClF4IN4O2
Molecular weight
540.64
Exact mass
539.9473
XLogP
3.8
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
105.21
Supplementary Information
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