CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)OC3=CC=CC=C3OCC4=CC=CC=C4)C(F)(F)F
Name: 3-[4-chloro-2-fluoro-5-(2-phenylmethoxyphenoxy)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILES: CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)OC3=CC=CC=C3OCC4=CC=CC=C4)C(F)(F)F

Molecular Processing

Molecular formula
C25H17ClF4N2O4
Molecular weight
520.87
Exact mass
520.0813
XLogP
5.72
TPSA
62.46
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
124.54

Supplementary Information

InChIKey: AHRTUDNPOMQNAW-UHFFFAOYSA-N
Synonyme
([2-(2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy)phenoxy]methyl)benzene([2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy)phenoxy]methyl)benzene([2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]methyl)benzeneSCHEMBL1527259([2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrah ydropyrimidin-1-yl]phenoxy}phenoxy]methyl)benzene
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