ChemSpider 2D Image | 1-[2-(4-Ethoxyphenyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl]-4-isopropyl-1,2,3,4-tetrahydroquinoxaline | C36H42N6O

1-[2-(4-Ethoxyphenyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl]-4-isopropyl-1,2,3,4-tetrahydroquinoxaline

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID122017768

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[2-(4-Ethoxyphenyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl]-4-isopropyl-1,2,3,4-tetrahydrochinoxalin [German] [ACD/IUPAC Name]
1-[2-(4-Ethoxyphenyl)-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl]-4-isopropyl-1,2,3,4-tetrahydroquinoxaline [ACD/IUPAC Name]
1-[2-(4-Éthoxyphényl)-6-{4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}-4-pyrimidinyl]-4-isopropyl-1,2,3,4-tétrahydroquinoxaline [French] [ACD/IUPAC Name]
Quinoxaline, 1-[2-(4-ethoxyphenyl)-6-[4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl]-4-pyrimidinyl]-1,2,3,4-tetrahydro-4-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.0±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 175.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 153.39
ACD/KOC (pH 5.5): 264.66
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 20350.15
ACD/KOC (pH 7.4): 35111.72
Polar Surface Area: 48 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 496.7±3.0 cm3

Click to predict properties on the Chemicalize site


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