ChemSpider 2D Image | 2-(1-Benzofuran-2-yl)-3-({[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylene}amino)-4(3H)-quinazolinone | C27H17N5O4

2-(1-Benzofuran-2-yl)-3-({[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylene}amino)-4(3H)-quinazolinone

  • Molecular FormulaC27H17N5O4
  • Average mass475.455 Da
  • Monoisotopic mass475.128052 Da
  • ChemSpider ID79824809

More details:

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

2-(1-Benzofuran-2-yl)-3-({[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylen}amino)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-(1-Benzofuran-2-yl)-3-({[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylene}amino)-4(3H)-quinazolinone [ACD/IUPAC Name]
2-(1-Benzofuran-2-yl)-3-({[1-(4-nitrophényl)-1H-pyrrol-2-yl]méthylène}amino)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-(2-benzofuranyl)-3-[[[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylene]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.2±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.6±33.7 °C
Index of Refraction: 1.727
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3190.81
ACD/KOC (pH 5.5): 11212.10
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3190.81
ACD/KOC (pH 7.4): 11212.10
Polar Surface Area: 109 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 335.7±7.0 cm3

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