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

Molecular Processing

Molecular formula
C25H19F4N3O4
Molecular weight
501.44
Exact mass
501.1312
XLogP
4.65
TPSA
88.48
H-bond donors
1
H-bond acceptors
5
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
123.94

Supplementary Information

InChIKey: NURMJDWUPOVQCS-UHFFFAOYSA-N
Synonyme
2-(2-benzyloxyphenoxy)-5-fluoro4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]aniline2-(2-benzyloxyphenoxy)-5-fluoro-4-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]aniline2-(2-benzyloxyphenoxy)-5-fluoro-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]anilineSCHEMBL15272582-(2-benzyloxyphenoxy)-5-fluoro-4-[3-methyl-2,6,-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]aniline2-(2-benzyloxyphenoxy)-5-fluoro4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2, 3,6-tetrahydropyrimidin-1-yl]aniline
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