5-[[1-[2-(4-Butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
[CAS# 4850-04-8]

Identification

• Name: 5-[[1-[2-(4-Butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
• Synonyms: 1-(4-Fluorophenyl)-5-[[1-[2-(4-Sec-Butylphenoxy)Ethyl]Pyrrol-2-Yl]Methylene]Hexahydropyrimidine-2,4,6-Trione; 1-(4-Fluorophenyl)-5-[[1-[2-(4-Sec-Butylphenoxy)Ethyl]-2-Pyrrolyl]Methylene]Hexahydropyrimidine-2,4,6-Trione; 1-(4-Fluorophenyl)-5-[[1-[2-(4-Sec-Butylphenoxy)Ethyl]Pyrrol-2-Yl]Methylene]Barbituric Acid
• Molecular Formula: C₂₇H₂₆FN₃O₄
• Molecular Weight: 475.52
• CAS Registry Number: 4850-04-8
• SMILES: C1=CC(=CC=C1F)N4C(=O)NC(=O)\C(=C/C2=CC=C[N]2CCOC3=CC=C(C=C3)C(CC)C)C4=O
• InChI: 1S/C27H26FN3O4/c1-3-18(2)19-6-12-23(13-7-19)35-16-15-30-14-4-5-22(30)17-24-25(32)29-27(34)31(26(24)33)21-10-8-20(28)9-11-21/h4-14,17-18H,3,15-16H2,1-2H3,(H,29,32,34)/b24-17+
• InChIKey: SAQCWQNTNXTCTO-JJIBRWJFSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 655.561°C at 760 mmHg (Cal.)
• Flash point: 350.271°C (Cal.)