2-[2-[4-(4-Chlorophenyl)Piperazin-1-Yl]-2-Oxo-Ethyl]Sulfanyl-3-(3-Fluorophenyl)Quinazolin-4-One
[CAS# 81262-74-0]

Identification

• Name: 2-[2-[4-(4-Chlorophenyl)Piperazin-1-Yl]-2-Oxo-Ethyl]Sulfanyl-3-(3-Fluorophenyl)Quinazolin-4-One
• Synonyms: 2-[2-[4-(4-Chlorophenyl)Piperazin-1-Yl]-2-Oxo-Ethyl]Sulfanyl-3-(3-Fluorophenyl)Quinazolin-4-One; 2-[[2-[4-(4-Chlorophenyl)-1-Piperazinyl]-2-Oxoethyl]Thio]-3-(3-Fluorophenyl)-4-Quinazolinone; 2-[[2-[4-(4-Chlorophenyl)Piperazin-1-Yl]-2-Keto-Ethyl]Thio]-3-(3-Fluorophenyl)Quinazolin-4-One
• Molecular Formula: C₂₆H₂₂ClFN₄O₂S
• Molecular Weight: 509.00
• CAS Registry Number: 81262-74-0
• SMILES: C1=CC=CC2=C1C(N(C(=N2)SCC(N3CCN(CC3)C4=CC=C(C=C4)Cl)=O)C5=CC=CC(=C5)F)=O
• InChI: 1S/C26H22ClFN4O2S/c27-18-8-10-20(11-9-18)30-12-14-31(15-13-30)24(33)17-35-26-29-23-7-2-1-6-22(23)25(34)32(26)21-5-3-4-19(28)16-21/h1-11,16H,12-15,17H2
• InChIKey: OWVAWGNJADCSFL-UHFFFAOYSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 716.381°C at 760 mmHg (Cal.)
• Flash point: 387.053°C (Cal.)