ChemSpider 2D Image | 1-(4-Ethyl-1-piperazinyl)-3-{[2-(4-methoxyphenyl)-4-quinazolinyl][3-(4-morpholinyl)propyl]amino}-1-propanone | C31H42N6O3

1-(4-Ethyl-1-piperazinyl)-3-{[2-(4-methoxyphenyl)-4-quinazolinyl][3-(4-morpholinyl)propyl]amino}-1-propanone

  • Molecular FormulaC31H42N6O3
  • Average mass546.704 Da
  • Monoisotopic mass546.331848 Da
  • ChemSpider ID21548204

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-Ethyl-1-piperazinyl)-3-{[2-(4-methoxyphenyl)-4-chinazolinyl][3-(4-morpholinyl)propyl]amino}-1-propanon [German] [ACD/IUPAC Name]
1-(4-Ethyl-1-piperazinyl)-3-{[2-(4-methoxyphenyl)-4-quinazolinyl][3-(4-morpholinyl)propyl]amino}-1-propanone [ACD/IUPAC Name]
1-(4-Éthyl-1-pipérazinyl)-3-{[2-(4-méthoxyphényl)-4-quinazolinyl][3-(4-morpholinyl)propyl]amino}-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(4-ethyl-1-piperazinyl)-3-[[2-(4-methoxyphenyl)-4-quinazolinyl][3-(4-morpholinyl)propyl]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 659.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.4±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 158.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 6.39
ACD/KOC (pH 7.4): 47.76
Polar Surface Area: 74 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 463.7±3.0 cm3

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