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

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

  • Molecular FormulaC29H34BrN3O5
  • Average mass584.501 Da
  • Monoisotopic mass583.168152 Da
  • ChemSpider ID79850741

More details:

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

(2-Allyl-4-{[(6-bromo-2-butyl-4-oxo-3(4H)-quinazolinyl)imino]méthyl}-6-éthoxyphénoxy)acétate d'isopropyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[4-[[(6-bromo-2-butyl-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-butyl-4-oxo-3(4H)-quinazolinyl)imino]methyl}-6-ethoxyphenoxy)acetate [ACD/IUPAC Name]
Isopropyl-(2-allyl-4-{[(6-brom-2-butyl-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: 661.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.6±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14568.07
ACD/KOC (pH 5.5): 33246.88
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14568.07
ACD/KOC (pH 7.4): 33246.88
Polar Surface Area: 90 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 455.7±7.0 cm3

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