ChemSpider 2D Image | 2-[(Z)-2-(1-Methyl-1H-indol-3-yl)vinyl]-3-(2-nitrophenyl)-4(3H)-quinazolinone | C25H18N4O3

2-[(Z)-2-(1-Methyl-1H-indol-3-yl)vinyl]-3-(2-nitrophenyl)-4(3H)-quinazolinone

  • Molecular FormulaC25H18N4O3
  • Average mass422.435 Da
  • Monoisotopic mass422.137878 Da
  • ChemSpider ID95710939

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(Z)-2-(1-Methyl-1H-indol-3-yl)vinyl]-3-(2-nitrophenyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-[(Z)-2-(1-Methyl-1H-indol-3-yl)vinyl]-3-(2-nitrophenyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
2-[(Z)-2-(1-Méthyl-1H-indol-3-yl)vinyl]-3-(2-nitrophényl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-[(Z)-2-(1-methyl-1H-indol-3-yl)ethenyl]-3-(2-nitrophenyl)- [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: 657.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.5±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 122.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1887.70
ACD/KOC (pH 5.5): 7700.31
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1887.72
ACD/KOC (pH 7.4): 7700.40
Polar Surface Area: 83 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 320.2±7.0 cm3

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