ChemSpider 2D Image | 3-[(1S,4S)-1-Isobutyl-3,6-dioxo-1,3,4,6-tetrahydro-2H-pyrazino[2,1-b]quinazolin-4-yl]-N-tritylpropanamide | C37H36N4O3

3-[(1S,4S)-1-Isobutyl-3,6-dioxo-1,3,4,6-tetrahydro-2H-pyrazino[2,1-b]quinazolin-4-yl]-N-tritylpropanamide

  • Molecular FormulaC37H36N4O3
  • Average mass584.707 Da
  • Monoisotopic mass584.278748 Da
  • ChemSpider ID9159964

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-Pyrazino[2,1-b]quinazoline-4-propanamide, 1,3,4,6-tetrahydro-1-(2-methylpropyl)-3,6-dioxo-N-(triphenylmethyl)-, (1S,4S)- [ACD/Index Name]
3-[(1S,4S)-1-Isobutyl-3,6-dioxo-1,3,4,6-tetrahydro-2H-pyrazino[2,1-b]chinazolin-4-yl]-N-tritylpropanamid [German] [ACD/IUPAC Name]
3-[(1S,4S)-1-Isobutyl-3,6-dioxo-1,3,4,6-tetrahydro-2H-pyrazino[2,1-b]quinazolin-4-yl]-N-tritylpropanamide [ACD/IUPAC Name]
3-[(1S,4S)-1-Isobutyl-3,6-dioxo-1,3,4,6-tétrahydro-2H-pyrazino[2,1-b]quinazolin-4-yl]-N-tritylpropanamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 173.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9600.49
ACD/KOC (pH 5.5): 24666.93
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9600.35
ACD/KOC (pH 7.4): 24666.58
Polar Surface Area: 91 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 476.4±7.0 cm3

Click to predict properties on the Chemicalize site


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