ChemSpider 2D Image | 1-{3-[4-(4-Acetylphenyl)-1-piperazinyl]-3-oxopropyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C29H34N6O3

1-{3-[4-(4-Acetylphenyl)-1-piperazinyl]-3-oxopropyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID20284819

More details:

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

[1,2,4]Triazolo[4,3-a]quinazolin-5(4H)-one, 1-[3-[4-(4-acetylphenyl)-1-piperazinyl]-3-oxopropyl]-4-(3-methylbutyl)- [ACD/Index Name]
1-{3-[4-(4-Acetylphenyl)-1-piperazinyl]-3-oxopropyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
1-{3-[4-(4-Acetylphenyl)-1-piperazinyl]-3-oxopropyl}-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
1-{3-[4-(4-Acétylphényl)-1-pipérazinyl]-3-oxopropyl}-4-(3-méthylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [French] [ACD/IUPAC Name]
1-(3-(4-(4-acetylphenyl)piperazin-1-yl)-3-oxopropyl)-4-isopentyl-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(3-methylbutyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
902931-49-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 795.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 434.8±35.7 °C
Index of Refraction: 1.663
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 443.08
ACD/KOC (pH 5.5): 2727.57
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 443.71
ACD/KOC (pH 7.4): 2731.45
Polar Surface Area: 92 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 398.0±7.0 cm3

Click to predict properties on the Chemicalize site


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