ChemSpider 2D Image | N~3~-[2-(4-Methoxyphenyl)-4-quinazolinyl]-N-[2-(4-morpholinyl)ethyl]-N~3~-[3-(4-morpholinyl)propyl]-beta-alaninamide | C31H42N6O4

N3-[2-(4-Methoxyphenyl)-4-quinazolinyl]-N-[2-(4-morpholinyl)ethyl]-N3-[3-(4-morpholinyl)propyl]-β-alaninamide

  • Molecular FormulaC31H42N6O4
  • Average mass562.703 Da
  • Monoisotopic mass562.326782 Da
  • ChemSpider ID21548195

More details:

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

N3-[2-(4-Methoxyphenyl)-4-chinazolinyl]-N-[2-(4-morpholinyl)ethyl]-N3-[3-(4-morpholinyl)propyl]-β-alaninamid [German] [ACD/IUPAC Name]
N3-[2-(4-Methoxyphenyl)-4-quinazolinyl]-N-[2-(4-morpholinyl)ethyl]-N3-[3-(4-morpholinyl)propyl]-β-alaninamide [ACD/IUPAC Name]
N3-[2-(4-Méthoxyphényl)-4-quinazolinyl]-N-[2-(4-morpholinyl)éthyl]-N3-[3-(4-morpholinyl)propyl]-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[[2-(4-methoxyphenyl)-4-quinazolinyl][3-(4-morpholinyl)propyl]amino]-N-[2-(4-morpholinyl)ethyl]- [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: 707.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 160.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 17.31
Polar Surface Area: 92 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 471.4±3.0 cm3

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