ChemSpider 2D Image | 4-(4-Fluorobenzyl)-1-{3-[4-(3-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C30H29FN6O3

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

  • Molecular FormulaC30H29FN6O3
  • Average mass540.588 Da
  • Monoisotopic mass540.228516 Da
  • ChemSpider ID20284564

More details:

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

[1,2,4]Triazolo[4,3-a]quinazolin-5(4H)-one, 4-[(4-fluorophenyl)methyl]-1-[3-[4-(3-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]- [ACD/Index Name]
4-(4-Fluorbenzyl)-1-{3-[4-(3-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
4-(4-Fluorobenzyl)-1-{3-[4-(3-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
4-(4-Fluorobenzyl)-1-{3-[4-(3-méthoxyphényl)-1-pipérazinyl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 832.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 457.2±37.1 °C
Index of Refraction: 1.676
Molar Refractivity: 150.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.92
ACD/KOC (pH 5.5): 2302.64
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 350.92
ACD/KOC (pH 7.4): 2309.20
Polar Surface Area: 84 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 399.3±7.0 cm3

Click to predict properties on the Chemicalize site


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