ChemSpider 2D Image | 7,9-Dimethyl-6-(4-oxo-4H-chromen-3-yl)-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione | C30H22N4O4

7,9-Dimethyl-6-(4-oxo-4H-chromen-3-yl)-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

  • Molecular FormulaC30H22N4O4
  • Average mass502.520 Da
  • Monoisotopic mass502.164093 Da
  • ChemSpider ID22471689

More details:

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

7,9-Dimethyl-6-(4-oxo-4H-chromen-3-yl)-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]chinoxalin-8,10(5H,9H)-dion [German] [ACD/IUPAC Name]
7,9-Dimethyl-6-(4-oxo-4H-chromen-3-yl)-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione [ACD/IUPAC Name]
7,9-Diméthyl-6-(4-oxo-4H-chromén-3-yl)-11-phényl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione [French] [ACD/IUPAC Name]
Pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione, 6,7-dihydro-7,9-dimethyl-6-(4-oxo-4H-1-benzopyran-3-yl)-11-phenyl- [ACD/Index 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: 734.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.9±35.7 °C
Index of Refraction: 1.745
Molar Refractivity: 141.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1201.64
ACD/KOC (pH 5.5): 5573.13
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1201.66
ACD/KOC (pH 7.4): 5573.21
Polar Surface Area: 84 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 348.9±7.0 cm3

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