Found 1 result

Search term: WFDJIIYWQKNANN-CCEZHUSRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-{2-[(E)-2-(4-Ethynylphenyl)vinyl]-4-oxo-3(4H)-quinazolinyl}benzoic acid | C25H16N2O3

3-{2-[(E)-2-(4-Ethynylphenyl)vinyl]-4-oxo-3(4H)-quinazolinyl}benzoic acid

  • Molecular FormulaC25H16N2O3
  • Average mass392.406 Da
  • Monoisotopic mass392.116089 Da
  • ChemSpider ID58879491

  • Double-bond stereo - Double-bond stereo

More details:

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

1624273-85-3 [RN]
3-{2-[(1E)-2-(4-ethynylphenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoic acid
3-{2-[(E)-2-(4-Ethinylphenyl)vinyl]-4-oxo-3(4H)-chinazolinyl}benzoesäure [German] [ACD/IUPAC Name]
3-{2-[(E)-2-(4-Ethynylphenyl)vinyl]-4-oxo-3(4H)-quinazolinyl}benzoic acid [ACD/IUPAC Name]
Acide 3-{2-[(E)-2-(4-éthynylphényl)vinyl]-4-oxo-3(4H)-quinazolinyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-[(E)-2-(4-ethynylphenyl)ethenyl]-4-oxo-3(4H)-quinazolinyl]- [ACD/Index Name]
(E)-3-(2-(4-Ethynylstyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 642.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.5±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 119.67
ACD/KOC (pH 5.5): 487.84
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 11.93
Polar Surface Area: 70 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 327.2±7.0 cm3

Click to predict properties on the Chemicalize site


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