Found 134 results

Search term: MF = 'C_{24}H_{22}BrClN_{4}O_{3}'
ChemSpider 2D Image | 9-{3-Bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxyphenyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one | C24H22BrClN4O3

9-{3-Bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxyphenyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one

  • Molecular FormulaC24H22BrClN4O3
  • Average mass529.813 Da
  • Monoisotopic mass528.056396 Da
  • ChemSpider ID12138934

More details:

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

[1,2,4]Triazolo[5,1-b]quinazolin-8(4H)-one, 9-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-5,6,7,9-tetrahydro- [ACD/Index Name]
9-{3-Brom-4-[(2-chlorbenzyl)oxy]-5-ethoxyphenyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]chinazolin-8(1H)-on [German] [ACD/IUPAC Name]
9-{3-Bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxyphenyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one [ACD/IUPAC Name]
9-{3-Bromo-4-[(2-chlorobenzyl)oxy]-5-éthoxyphényl}-5,6,7,9-tétrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(1H)-one [French] [ACD/IUPAC Name]
9-{3-Bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxyphenyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 671.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.7±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5386.63
ACD/KOC (pH 5.5): 16306.04
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5391.81
ACD/KOC (pH 7.4): 16321.75
Polar Surface Area: 78 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 332.2±7.0 cm3

Click to predict properties on the Chemicalize site


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