ChemSpider 2D Image | 4-{[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-2-(4-ethoxy-2-nitrophenyl)-7-methoxy-1,3(2H,4H)-isoquinolinedione | C30H27N5O7

4-{[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-2-(4-ethoxy-2-nitrophenyl)-7-methoxy-1,3(2H,4H)-isoquinolinedione

  • Molecular FormulaC30H27N5O7
  • Average mass569.565 Da
  • Monoisotopic mass569.191040 Da
  • ChemSpider ID5206270

More details:

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

1,3(2H,4H)-Isoquinolinedione, 4-[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]methylene]-2-(4-ethoxy-2-nitrophenyl)-7-methoxy- [ACD/Index Name]
4-{[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylen}-2-(4-ethoxy-2-nitrophenyl)-7-methoxy-1,3(2H,4H)-isochinolindion [German] [ACD/IUPAC Name]
4-{[(1,5-Diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)amino]méthylène}-2-(4-éthoxy-2-nitrophényl)-7-méthoxy-1,3(2H,4H)-isoquinoléinedione [French] [ACD/IUPAC Name]
4-{[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-2-(4-ethoxy-2-nitrophenyl)-7-methoxy-1,3(2H,4H)-isoquinolinedione [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 771.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.4±35.7 °C
Index of Refraction: 1.704
Molar Refractivity: 151.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.07
ACD/KOC (pH 5.5): 378.60
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.09
ACD/KOC (pH 7.4): 378.85
Polar Surface Area: 137 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 75.1±5.0 dyne/cm
Molar Volume: 391.5±5.0 cm3

Click to predict properties on the Chemicalize site


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