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

Molecular Processing

Molecular formula
C25H17F4N3O6
Molecular weight
531.42
Exact mass
531.1053
XLogP
4.97
TPSA
105.6
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
126.18

Supplementary Information

InChIKey: LWUXURORFZQPPZ-UHFFFAOYSA-N
مرادفات
2-(2-benzyloxyphenoxy)-5-fluoro-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-nitrobenzeneSCHEMBL15272732-(2-benzyloxyphenoxy)-5-fluoro-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1, 2,3,6-tetrahydropyrimidin-1-yl]nitrobenzene2-(2-benzyloxyphenoxy)-5-fluoro-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]nitrobenzene
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