ChemSpider 2D Image | 4-({4-[3-({[2-(4-Methoxy-1-benzofuran-2-yl)-4-oxo-3(4H)-quinazolinyl]imino}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]phenoxy}methyl)benzoic acid | C38H30N4O6

4-({4-[3-({[2-(4-Methoxy-1-benzofuran-2-yl)-4-oxo-3(4H)-quinazolinyl]imino}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]phenoxy}methyl)benzoic acid

  • Molecular FormulaC38H30N4O6
  • Average mass638.668 Da
  • Monoisotopic mass638.216553 Da
  • ChemSpider ID79848319

More details:

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

4-({4-[3-({[2-(4-Methoxy-1-benzofuran-2-yl)-4-oxo-3(4H)-chinazolinyl]imino}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]phenoxy}methyl)benzoesäure [German] [ACD/IUPAC Name]
4-({4-[3-({[2-(4-Methoxy-1-benzofuran-2-yl)-4-oxo-3(4H)-quinazolinyl]imino}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]phenoxy}methyl)benzoic acid [ACD/IUPAC Name]
Acide 4-({4-[3-({[2-(4-méthoxy-1-benzofuran-2-yl)-4-oxo-3(4H)-quinazolinyl]imino}méthyl)-2,5-diméthyl-1H-pyrrol-1-yl]phénoxy}méthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[3-[[[2-(4-methoxy-2-benzofuranyl)-4-oxo-3(4H)-quinazolinyl]imino]methyl]-2,5-dimethyl-1H-pyrrol-1-yl]phenoxy]methyl]- [ACD/Index 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: 847.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 466.5±37.1 °C
Index of Refraction: 1.668
Molar Refractivity: 180.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 4558.79
ACD/KOC (pH 5.5): 5942.19
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 132.97
ACD/KOC (pH 7.4): 173.32
Polar Surface Area: 119 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 483.0±7.0 cm3

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