ChemSpider 2D Image | 7a,9,10,11a-Tetrachloro-2-[2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)ethyl]-7-[2-(4-hydroxy-3-methoxyphenyl)vinyl]-5,7,7a,11a,12,12a-hexahydro-1H-benzo[g][1,2,4]triazolo[1,2-a]cinnoli ne-1,3,8,11(2H)-tetrone | C36H31Cl4N5O9

7a,9,10,11a-Tetrachloro-2-[2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)ethyl]-7-[2-(4-hydroxy-3-methoxyphenyl)vinyl]-5,7,7a,11a,12,12a-hexahydro-1H-benzo[g][1,2,4]triazolo[1,2-a]cinnoli ne-1,3,8,11(2H)-tetrone

  • Molecular FormulaC36H31Cl4N5O9
  • Average mass819.471 Da
  • Monoisotopic mass817.087585 Da
  • ChemSpider ID3665441

More details:

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

1H-Benzo[g][1,2,4]triazolo[1,2-a]cinnoline-1,3,8,11(2H)-tetrone, 7a,9,10,11a-tetrachloro-2-[2-(3,4-dihydro-6,7-dimethoxy-4-methyl-3-oxo-2-quinoxalinyl)ethyl]-5,7,7a,11a,12,12a-hexahydro-7-[2-(4-hydrox y-3-methoxyphenyl)ethenyl]- [ACD/Index Name]
7a,9,10,11a-Tetrachlor-2-[2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydro-2-chinoxalinyl)ethyl]-7-[2-(4-hydroxy-3-methoxyphenyl)vinyl]-5,7,7a,11a,12,12a-hexahydro-1H-benzo[g][1,2,4]triazolo[1,2-a]cinnolin -1,3,8,11(2H)-tetron [German] [ACD/IUPAC Name]
7a,9,10,11a-Tetrachloro-2-[2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)ethyl]-7-[2-(4-hydroxy-3-methoxyphenyl)vinyl]-5,7,7a,11a,12,12a-hexahydro-1H-benzo[g][1,2,4]triazolo[1,2-a]cinnoli ne-1,3,8,11(2H)-tetrone [ACD/IUPAC Name]
7a,9,10,11a-Tétrachloro-2-[2-(6,7-diméthoxy-4-méthyl-3-oxo-3,4-dihydro-2-quinoxalinyl)éthyl]-7-[2-(4-hydroxy-3-méthoxyphényl)vinyl]-5,7,7a,11a,12,12a-hexahydro-1H-benzo[g][1,2,4]triazolo[1,2-a]cinnoli ne-1,3,8,11(2H)-tétrone [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 888.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 491.1±37.1 °C
Index of Refraction: 1.709
Molar Refractivity: 197.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.62
ACD/KOC (pH 5.5): 883.09
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.28
ACD/KOC (pH 7.4): 879.78
Polar Surface Area: 159 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 506.2±7.0 cm3

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