ChemSpider 2D Image | ATX-914 | C29H23BrN4O2

ATX-914

  • Molecular FormulaC29H23BrN4O2
  • Average mass539.422 Da
  • Monoisotopic mass538.100403 Da
  • ChemSpider ID52085180

More details:

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

1-[(2-Brom-6-chinoxalinyl)methyl]-4-(4-isopropylphenyl)-6-(2-propin-1-yloxy)-2(1H)-chinazolinon [German] [ACD/IUPAC Name]
1-[(2-Bromo-6-quinoxalinyl)methyl]-4-(4-isopropylphenyl)-6-(2-propyn-1-yloxy)-2(1H)-quinazolinone [ACD/IUPAC Name]
1-[(2-Bromo-6-quinoxalinyl)méthyl]-4-(4-isopropylphényl)-6-(2-propyn-1-yloxy)-2(1H)-quinazolinone [French] [ACD/IUPAC Name]
2(1H)-Quinazolinone, 1-[(2-bromo-6-quinoxalinyl)methyl]-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-yloxy)- [ACD/Index Name]
ATX-914
8VK61D7U5D
AXT914
UNII:8VK61D7U5D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 684.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.7±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3384.16
ACD/KOC (pH 5.5): 11694.31
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3384.16
ACD/KOC (pH 7.4): 11694.33
Polar Surface Area: 68 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 394.9±7.0 cm3

Click to predict properties on the Chemicalize site


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