Name: 3-[4-chloro-2-fluoro-5-(2-pyrimidinyloxy)phenyl]-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione
SMILES:
O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(Oc2ncccn2)c(Cl)cc1FMolecular Processing
Molecular formula
C15H7ClF4N4O3
Molecular weight
402.69
Exact mass
402.0143
XLogP
2.92
TPSA
89.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
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
0.067
Molar refractivity
84.74
Supplementary Information
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