ChemSpider 2D Image | Nalpha-{4-[4-(2,4-Difluorophenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide | C33H29F3N6O2

Nα-{4-[4-(2,4-Difluorophenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide

  • Molecular FormulaC33H29F3N6O2
  • Average mass598.618 Da
  • Monoisotopic mass598.230408 Da
  • ChemSpider ID35034597
  • 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-(2,4-difluorophenyl)-1-piperazinyl]-2-fluorobenzoyl]amino]-N-4-pyridinyl-, (αR)- [ACD/Index Name]
4-[4-[2,4-Bis(Fluoranyl)phenyl]piperazin-1-Yl]-2-Fluoranyl-N-[(2r)-3-(1h-Indol-3-Yl)-1-Oxidanylidene-1-(Pyridin-4-Ylamino)propan-2-Yl]benzamide
Nα-{4-[4-(2,4-Difluorophenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide [ACD/IUPAC Name]
Nα-{4-[4-(2,4-Difluorophényl)-1-pipérazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophaneamide [French] [ACD/IUPAC Name]
Nα-{4-[4-(2,4-Difluorphenyl)-1-piperazinyl]-2-fluorbenzoyl}-N-4-pyridinyl-D-tryptophanamid [German] [ACD/IUPAC Name]
WVH

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 879.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 485.8±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 161.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 576.78
ACD/KOC (pH 5.5): 2198.73
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2326.64
ACD/KOC (pH 7.4): 8869.38
Polar Surface Area: 93 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 430.6±3.0 cm3

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