ChemSpider 2D Image | Methyl N-[(5-{4-[(1,5-dimethyl-2-phenyl-1H-indol-3-yl)carbonyl]-1-piperazinyl}-2-pyrazinyl)carbonyl]-N-methyl-L-phenylalaninate | C37H38N6O4

Methyl N-[(5-{4-[(1,5-dimethyl-2-phenyl-1H-indol-3-yl)carbonyl]-1-piperazinyl}-2-pyrazinyl)carbonyl]-N-methyl-L-phenylalaninate

  • Molecular FormulaC37H38N6O4
  • Average mass630.735 Da
  • Monoisotopic mass630.295471 Da
  • ChemSpider ID8408451

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Phenylalanine, N-[[5-[4-[(1,5-dimethyl-2-phenyl-1H-indol-3-yl)carbonyl]-1-piperazinyl]-2-pyrazinyl]carbonyl]-N-methyl-, methyl ester [ACD/Index Name]
Methyl N-[(5-{4-[(1,5-dimethyl-2-phenyl-1H-indol-3-yl)carbonyl]-1-piperazinyl}-2-pyrazinyl)carbonyl]-N-methyl-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[(5-{4-[(1,5-dimethyl-2-phenyl-1H-indol-3-yl)carbonyl]-1-piperazinyl}-2-pyrazinyl)carbonyl]-N-methyl-L-phenylalaninat [German] [ACD/IUPAC Name]
N-[(5-{4-[(1,5-Diméthyl-2-phényl-1H-indol-3-yl)carbonyl]-1-pipérazinyl}-2-pyrazinyl)carbonyl]-N-méthyl-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 875.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 483.4±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 182.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3115.92
ACD/KOC (pH 5.5): 11018.45
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3120.48
ACD/KOC (pH 7.4): 11034.59
Polar Surface Area: 101 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 503.2±7.0 cm3

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