ChemSpider 2D Image | Isopropyl [2-allyl-4-({[6-bromo-2-(2-methyl-2-propanyl)-4-oxo-3(4H)-quinazolinyl]imino}methyl)-6-ethoxyphenoxy]acetate | C29H34BrN3O5

Isopropyl [2-allyl-4-({[6-bromo-2-(2-methyl-2-propanyl)-4-oxo-3(4H)-quinazolinyl]imino}methyl)-6-ethoxyphenoxy]acetate

  • Molecular FormulaC29H34BrN3O5
  • Average mass584.501 Da
  • Monoisotopic mass583.168152 Da
  • ChemSpider ID79829916

More details:

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

[2-Allyl-4-({[6-bromo-2-(2-méthyl-2-propanyl)-4-oxo-3(4H)-quinazolinyl]imino}méthyl)-6-éthoxyphénoxy]acétate d'isopropyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[4-[[[6-bromo-2-(1,1-dimethylethyl)-4-oxo-3(4H)-quinazolinyl]imino]methyl]-2-ethoxy-6-(2-propen-1-yl)phenoxy]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl [2-allyl-4-({[6-bromo-2-(2-methyl-2-propanyl)-4-oxo-3(4H)-quinazolinyl]imino}methyl)-6-ethoxyphenoxy]acetate [ACD/IUPAC Name]
Isopropyl-[2-allyl-4-({[6-brom-2-(2-methyl-2-propanyl)-4-oxo-3(4H)-chinazolinyl]imino}methyl)-6-ethoxyphenoxy]acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 348.0±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 151.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14133.24
ACD/KOC (pH 5.5): 32533.52
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14133.24
ACD/KOC (pH 7.4): 32533.52
Polar Surface Area: 90 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 459.3±7.0 cm3

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