ChemSpider 2D Image | 9-(3-Nitrophenyl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one | C24H23N5O6

9-(3-Nitrophenyl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one

  • Molecular FormulaC24H23N5O6
  • Average mass477.469 Da
  • Monoisotopic mass477.164825 Da
  • ChemSpider ID21837653

More details:

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

[1,2,4]Triazolo[5,1-b]quinazolin-8(4H)-one, 5,6,7,9-tetrahydro-9-(3-nitrophenyl)-6-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
9-(3-Nitrophenyl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]chinazolin-8(1H)-on [German] [ACD/IUPAC Name]
9-(3-Nitrophenyl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one [ACD/IUPAC Name]
9-(3-Nitrophényl)-6-(3,4,5-triméthoxyphényl)-5,6,7,9-tétrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one [French] [ACD/IUPAC Name]
9-(3-nitrophenyl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-Nitro-phenyl)-6-(3,4,5-trimethoxy-phenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 672.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.6±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 123.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 176.19
ACD/KOC (pH 5.5): 1409.94
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 176.32
ACD/KOC (pH 7.4): 1410.93
Polar Surface Area: 133 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 320.3±7.0 cm3

Click to predict properties on the Chemicalize site


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