ChemSpider 2D Image | 4-(4-Chlorobenzyl)-1-{3-[4-(4-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C30H29ClN6O3

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

  • Molecular FormulaC30H29ClN6O3
  • Average mass557.043 Da
  • Monoisotopic mass556.198975 Da
  • ChemSpider ID22470754

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-chlorophenyl)methyl]-1-[3-[4-(4-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]- [ACD/Index Name]
4-(4-Chlorbenzyl)-1-{3-[4-(4-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-1-{3-[4-(4-methoxyphenyl)-1-piperazinyl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-1-{3-[4-(4-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: 849.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 467.2±37.1 °C
Index of Refraction: 1.689
Molar Refractivity: 155.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 759.53
ACD/KOC (pH 5.5): 3988.35
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 776.14
ACD/KOC (pH 7.4): 4075.53
Polar Surface Area: 84 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 405.7±7.0 cm3

Click to predict properties on the Chemicalize site


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