ChemSpider 2D Image | Nalpha-(2-Fluoro-4-{4-[4-(trifluoromethyl)phenyl]-1-piperazinyl}benzoyl)-N-4-pyridinyl-D-tryptophanamide | C34H30F4N6O2

Nα-(2-Fluoro-4-{4-[4-(trifluoromethyl)phenyl]-1-piperazinyl}benzoyl)-N-4-pyridinyl-D-tryptophanamide

  • Molecular FormulaC34H30F4N6O2
  • Average mass630.635 Da
  • Monoisotopic mass630.236633 Da
  • ChemSpider ID35034752

  • 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-[[2-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]benzoyl]amino]-N-4-pyridinyl-, (αR)- [ACD/Index Name]
Nα-(2-Fluor-4-{4-[4-(trifluormethyl)phenyl]-1-piperazinyl}benzoyl)-N-4-pyridinyl-D-tryptophanamid [German] [ACD/IUPAC Name]
Nα-(2-Fluoro-4-{4-[4-(trifluoromethyl)phenyl]-1-piperazinyl}benzoyl)-N-4-pyridinyl-D-tryptophanamide [ACD/IUPAC Name]
Nα-(2-Fluoro-4-{4-[4-(trifluorométhyl)phényl]-1-pipérazinyl}benzoyl)-N-4-pyridinyl-D-tryptophaneamide [French] [ACD/IUPAC Name]
Nα-(2-Fluoro-4-{4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl}benzoyl)-N-Pyridin-4-Yl-D-Tryptophanamide
26N

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

Density: 1.4±0.1 g/cm3
Boiling Point: 882.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 487.2±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 166.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 2604.80
ACD/KOC (pH 5.5): 7566.47
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6111.08
ACD/KOC (pH 7.4): 17751.52
Polar Surface Area: 93 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 455.7±3.0 cm3

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