ChemSpider 2D Image | (E)-methyl 2-((1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxalin-2-ylidene)methyl)benzoate | C31H28N2O6S2

(E)-methyl 2-((1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxalin-2-ylidene)methyl)benzoate

  • Molecular FormulaC31H28N2O6S2
  • Average mass588.694 Da
  • Monoisotopic mass588.138855 Da
  • ChemSpider ID21378380

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-methyl 2-((1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxalin-2-ylidene)methyl)benzoate
2-[(E)-{1,4-Bis[(4-méthylphényl)sulfonyl]-3,4-dihydro-2(1H)-quinoxalinylidène}méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(E)-[3,4-dihydro-1,4-bis[(4-methylphenyl)sulfonyl]-2(1H)-quinoxalinylidene]methyl]-, methyl ester [ACD/Index Name]
Methyl 2-[(E)-{1,4-bis[(4-methylphenyl)sulfonyl]-3,4-dihydro-2(1H)-quinoxalinylidene}methyl]benzoate [ACD/IUPAC Name]
Methyl-2-[(E)-{1,4-bis[(4-methylphenyl)sulfonyl]-3,4-dihydro-2(1H)-chinoxalinyliden}methyl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 749.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 407.1±35.7 °C
Index of Refraction: 1.655
Molar Refractivity: 158.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 11969.19
ACD/KOC (pH 5.5): 28884.68
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 11969.19
ACD/KOC (pH 7.4): 28884.68
Polar Surface Area: 118 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 431.1±3.0 cm3

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