ChemSpider 2D Image | 9-[4-(Benzyloxy)-3-ethoxyphenyl]-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one | C32H32N4O3

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

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID4479947

More details:






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

[1,2,4]Triazolo[5,1-b]quinazolin-8(1H)-one, 9-[3-ethoxy-4-(phenylmethoxy)phenyl]-5,6,7,9-tetrahydro-6,6-dimethyl-2-phenyl- [ACD/Index Name]
[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-[3-ethoxy-4-(phenylmethoxy)phenyl]-5,6,7,9-tetrahydro-6,6-dimethyl-2-phenyl-
9-[4-(Benzyloxy)-3-ethoxyphenyl]-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]chinazolin-8(1H)-on [German] [ACD/IUPAC Name]
9-[4-(Benzyloxy)-3-ethoxyphenyl]-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one [ACD/IUPAC Name]
9-[4-(Benzyloxy)-3-éthoxyphényl]-6,6-diméthyl-2-phényl-5,6,7,9-tétrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one [French] [ACD/IUPAC Name]
9-[4-(Benzyloxy)-3-ethoxyphenyl]-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-ethoxy-4-phenylmethoxyphenyl)-6,6-dimethyl-2-phenyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
9-(4-(benzyloxy)-3-ethoxyphenyl)-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-[3-ethoxy-4-(phenylmethoxy)phenyl]-6,6-dimethyl-2-phenyl-4,5,6,7,9,10-hexahydro-1,2,4-triazolo[5,1-b]quinazolin-8-one
c32h32n4o3

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

EU-0080298 [DBID]
UNM000000662801 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 651.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.6±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 225.16
ACD/KOC (pH 5.5): 648.28
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4349.63
ACD/KOC (pH 7.4): 12523.57
Polar Surface Area: 76 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 413.8±7.0 cm3

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