ChemSpider 2D Image | Isopropyl [5-bromo-4-({[2-(4-ethoxy-5-isopropyl-2-methylphenyl)-4-oxo-3(4H)-quinazolinyl]imino}methyl)-2-methoxyphenoxy]acetate | C33H36BrN3O6

Isopropyl [5-bromo-4-({[2-(4-ethoxy-5-isopropyl-2-methylphenyl)-4-oxo-3(4H)-quinazolinyl]imino}methyl)-2-methoxyphenoxy]acetate

  • Molecular FormulaC33H36BrN3O6
  • Average mass650.559 Da
  • Monoisotopic mass649.178711 Da
  • ChemSpider ID79835528

More details:

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

[5-Bromo-4-({[2-(4-éthoxy-5-isopropyl-2-méthylphényl)-4-oxo-3(4H)-quinazolinyl]imino}méthyl)-2-méthoxyphénoxy]acétate d'isopropyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[5-bromo-4-[[[2-[4-ethoxy-2-methyl-5-(1-methylethyl)phenyl]-4-oxo-3(4H)-quinazolinyl]imino]methyl]-2-methoxyphenoxy]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl [5-bromo-4-({[2-(4-ethoxy-5-isopropyl-2-methylphenyl)-4-oxo-3(4H)-quinazolinyl]imino}methyl)-2-methoxyphenoxy]acetate [ACD/IUPAC Name]
Isopropyl-[5-brom-4-({[2-(4-ethoxy-5-isopropyl-2-methylphenyl)-4-oxo-3(4H)-chinazolinyl]imino}methyl)-2-methoxyphenoxy]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: 721.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.4±35.7 °C
Index of Refraction: 1.593
Molar Refractivity: 168.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.08
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 111787.87
ACD/KOC (pH 5.5): 142961.66
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 111787.87
ACD/KOC (pH 7.4): 142961.66
Polar Surface Area: 99 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 496.0±7.0 cm3

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