ChemSpider 2D Image | Nalpha-{4-[4-(3,4-Difluorophenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide | C33H29F3N6O2

Nα-{4-[4-(3,4-Difluorophenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide

  • Molecular FormulaC33H29F3N6O2
  • Average mass598.618 Da
  • Monoisotopic mass598.230408 Da
  • ChemSpider ID35034748

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-N-(3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl)-4-(4-(3,4-Difluorophenyl)piperazin-1-Yl)-2-Fluorobenzamide
1H-Indole-3-propanamide, α-[[4-[4-(3,4-difluorophenyl)-1-piperazinyl]-2-fluorobenzoyl]amino]-N-4-pyridinyl-, (αR)- [ACD/Index Name]
Nα-{4-[4-(3,4-Difluorophenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide [ACD/IUPAC Name]
Nα-{4-[4-(3,4-Difluorophényl)-1-pipérazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophaneamide [French] [ACD/IUPAC Name]
Nα-{4-[4-(3,4-Difluorphenyl)-1-piperazinyl]-2-fluorbenzoyl}-N-4-pyridinyl-D-tryptophanamid [German] [ACD/IUPAC Name]
25S

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

Density: 1.4±0.1 g/cm3
Boiling Point: 898.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 497.0±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: 4.80
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 842.62
ACD/KOC (pH 5.5): 3290.64
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2154.64
ACD/KOC (pH 7.4): 8414.43
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

Click to predict properties on the Chemicalize site


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