ChemSpider 2D Image | 4-{2-[(E)-2-(3-Nitrophenyl)vinyl]-4-oxo-6-phenyl-3(4H)-quinazolinyl}benzoic acid | C29H19N3O5

4-{2-[(E)-2-(3-Nitrophenyl)vinyl]-4-oxo-6-phenyl-3(4H)-quinazolinyl}benzoic acid

  • Molecular FormulaC29H19N3O5
  • Average mass489.478 Da
  • Monoisotopic mass489.132477 Da
  • ChemSpider ID25048692

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{2-[(E)-2-(3-Nitrophenyl)vinyl]-4-oxo-6-phenyl-3(4H)-chinazolinyl}benzoesäure [German] [ACD/IUPAC Name]
4-{2-[(E)-2-(3-Nitrophenyl)vinyl]-4-oxo-6-phenyl-3(4H)-quinazolinyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{2-[(E)-2-(3-nitrophényl)vinyl]-4-oxo-6-phényl-3(4H)-quinazolinyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-6-phenyl-3(4H)-quinazolinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 414.6±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 138.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 751.99
ACD/KOC (pH 5.5): 1977.94
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 16.50
ACD/KOC (pH 7.4): 43.40
Polar Surface Area: 116 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 368.9±7.0 cm3

Click to predict properties on the Chemicalize site


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