ChemSpider 2D Image | 9-[4-(Benzyloxy)phenyl]-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one | C31H30N4O5

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

  • Molecular FormulaC31H30N4O5
  • Average mass538.594 Da
  • Monoisotopic mass538.221619 Da
  • ChemSpider ID21837629

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-[4-(phenylmethoxy)phenyl]-6-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
9-[4-(Benzyloxy)phenyl]-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-[4-(Benzyloxy)phenyl]-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-[4-(Benzyloxy)phényl]-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-(4-Benzyloxy-phenyl)-6-(3,4,5-trimethoxy-phenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
9-[4-(benzyloxy)phenyl]-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±35.7 °C
Index of Refraction: 1.657
Molar Refractivity: 149.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2838.62
ACD/KOC (pH 5.5): 10307.89
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2842.24
ACD/KOC (pH 7.4): 10321.05
Polar Surface Area: 97 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 405.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement