3-{2-[4-(4-Nitrobenzoyl)-1-Piperidinyl]Ethyl}-2-Thioxo-2,3-Dihydro-4(1H)-Quinazolinone
[CAS# 139418-53-4]

Identification

• Name: 3-{2-[4-(4-Nitrobenzoyl)-1-Piperidinyl]Ethyl}-2-Thioxo-2,3-Dihydro-4(1H)-Quinazolinone
• Synonyms: 3-{2-[4-(4-Nitrobenzoyl)-1-piperidinyl]ethyl}-2-thioxo-2,3-dihydro-4(1H)-chinazolinon; 3-{2-[4-(4-Nitrobenzoyl)-1-piperidinyl]ethyl}-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
• Molecular Formula: C₂₂H₂₂N₄O₄S
• Molecular Weight: 438.50
• CAS Registry Number: 139418-53-4
• SMILES: c1ccc2c(c1)c(=O)n(c(=S)[nH]2)CCN3CCC(CC3)C(=O)c4ccc(cc4)[N+](=O)[O-]
• InChI: 1S/C22H22N4O4S/c27-20(15-5-7-17(8-6-15)26(29)30)16-9-11-24(12-10-16)13-14-25-21(28)18-3-1-2-4-19(18)23-22(25)31/h1-8,16H,9-14H2,(H,23,31)
• InChIKey: KKJOXLNCYXBXRS-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 627.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 333.1±34.3°C (Cal.)
• Refractive index: 1.7 (Cal.)