ChemSpider 2D Image | Nalpha-{4-[4-(3-Chlorophenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide | C33H30ClFN6O2

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

  • Molecular FormulaC33H30ClFN6O2
  • Average mass597.082 Da
  • Monoisotopic mass596.210266 Da
  • ChemSpider ID58118967

  • 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-(3-chlorophenyl)-1-piperazinyl]-2-fluorobenzoyl]amino]-N-4-pyridinyl-, (αR)- [ACD/Index Name]
Nα-{4-[4-(3-Chlorophenyl)-1-piperazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophanamide [ACD/IUPAC Name]
Nα-{4-[4-(3-Chlorophényl)-1-pipérazinyl]-2-fluorobenzoyl}-N-4-pyridinyl-D-tryptophaneamide [French] [ACD/IUPAC Name]
Nα-{4-[4-(3-Chlorphenyl)-1-piperazinyl]-2-fluorbenzoyl}-N-4-pyridinyl-D-tryptophanamid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3337539/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 905.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 501.3±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2024.29
ACD/KOC (pH 5.5): 6205.63
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5051.83
ACD/KOC (pH 7.4): 15486.77
Polar Surface Area: 93 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 434.2±3.0 cm3

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