ChemSpider 2D Image | 2-(2-Chloro-4-fluorobenzyl)-N-isobutyl-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide | C24H25ClFN5O3

2-(2-Chloro-4-fluorobenzyl)-N-isobutyl-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

  • Molecular FormulaC24H25ClFN5O3
  • Average mass485.938 Da
  • Monoisotopic mass485.162994 Da
  • ChemSpider ID22531163

More details:

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

[1,2,4]Triazolo[4,3-a]quinazoline-8-carboxamide, 2-[(2-chloro-4-fluorophenyl)methyl]-1,2,4,5-tetrahydro-N-(2-methylpropyl)-1,5-dioxo-4-propyl- [ACD/Index Name]
2-(2-Chlor-4-fluorbenzyl)-N-isobutyl-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]chinazolin-8-carboxamid [German] [ACD/IUPAC Name]
2-(2-Chloro-4-fluorobenzyl)-N-isobutyl-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide [ACD/IUPAC Name]
2-(2-Chloro-4-fluorobenzyl)-N-isobutyl-1,5-dioxo-4-propyl-1,2,4,5-tétrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide [French] [ACD/IUPAC Name]
1105200-51-8 [RN]
2-(2-chloro-4-fluorobenzyl)-N-isobutyl-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-propyl-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.55
ACD/KOC (pH 5.5): 826.66
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.55
ACD/KOC (pH 7.4): 826.66
Polar Surface Area: 85 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 347.7±7.0 cm3

Click to predict properties on the Chemicalize site


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