CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)OC3=CC=CC=C3O)C(F)(F)F
Name: 3-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)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=C3O)C(F)(F)F

Molecular Processing

Molecular formula
C18H11ClF4N2O4
Molecular weight
430.74
Exact mass
430.0343
XLogP
3.85
TPSA
73.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
95.43

Supplementary Information

InChIKey: MZCRXKRKAGVBBW-UHFFFAOYSA-N
Synonyme
2-(2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy)phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenolSCHEMBL15272842-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1, 2,3,6-tetrahy dropyrimidin-1-yl]phenoxy}phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahy dropyrimidin-1-yl]phenoxy}phenol2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-phenoxy}phenol
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