ChemSpider 2D Image | Ethyl 4-[3-(4-methoxyphenyl)-3'-methyl-5'-oxo-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl]benzoate | C31H32N4O4

Ethyl 4-[3-(4-methoxyphenyl)-3'-methyl-5'-oxo-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl]benzoate

  • Molecular FormulaC31H32N4O4
  • Average mass524.610 Da
  • Monoisotopic mass524.242371 Da
  • ChemSpider ID18489778

More details:

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

Benzoic acid, 4-[2,3,4,4a-tetrahydro-3-(4-methoxyphenyl)-5'-methyl-3'-oxospiro[1H-pyrazino[1,2-a]quinoline-5(6H),4'-[4H]pyrazol]-2'(3'H)-yl]-, ethyl ester [ACD/Index Name]
Ethyl 4-[3-(4-methoxyphenyl)-3'-methyl-5'-oxo-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl]benzoate [ACD/IUPAC Name]
ethyl 4-(3-(4-methoxyphenyl)-3'-methyl-5'-oxo-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl)benzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 745.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.6±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 149.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 414.60
ACD/KOC (pH 5.5): 1670.51
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1881.50
ACD/KOC (pH 7.4): 7580.96
Polar Surface Area: 75 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 407.2±7.0 cm3

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