ChemSpider 2D Image | Nalpha-{4-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide | C34H32ClFN6O2

Nα-{4-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide

  • Molecular FormulaC34H32ClFN6O2
  • Average mass611.108 Da
  • Monoisotopic mass610.225952 Da
  • ChemSpider ID35033909

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-propanamide, α-[[4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-fluorobenzoyl]amino]-N-4-pyridinyl-, (αR)- [ACD/Index Name]
Nα-{4-[4-(5-Chlor-2-methylphenyl)-1-piperazinyl]-2-fluorbenzoyl}-N-4-pyridinyl-D-tryptophanamid [German] [ACD/IUPAC Name]
Nα-{4-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide [ACD/IUPAC Name]
Nα-{4-[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophaneamide [French] [ACD/IUPAC Name]
Nα-{4-[4-(5-Chloro-2-Methylphenyl)piperazin-1-Yl]-2-Fluorobenzoyl}-N-Pyridin-4-Yl-D-Tryptophanamide
J5Y

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

Density: 1.4±0.1 g/cm3
Boiling Point: 907.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 502.9±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 171.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 2602.19
ACD/KOC (pH 5.5): 7123.33
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7507.94
ACD/KOC (pH 7.4): 20552.48
Polar Surface Area: 93 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 450.5±3.0 cm3

Click to predict properties on the Chemicalize site


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