ChemSpider 2D Image | 4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-(4-iodobenzyl)-2-piperazinone | C21H21F3IN3O2

4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-(4-iodobenzyl)-2-piperazinone

  • Molecular FormulaC21H21F3IN3O2
  • Average mass531.310 Da
  • Monoisotopic mass531.063049 Da
  • ChemSpider ID26336422

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Piperazinone, 4-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-1-[(4-iodophenyl)methyl]- [ACD/Index Name]
4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-(4-iodobenzyl)-2-piperazinone [ACD/IUPAC Name]
4-[(3R)-3-Amino-4-(2,4,5-trifluorophényl)butanoyl]-1-(4-iodobenzyl)-2-pipérazinone [French] [ACD/IUPAC Name]
4-[(3R)-3-Amino-4-(2,4,5-trifluorphenyl)butanoyl]-1-(4-iodbenzyl)-2-piperazinon [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 647.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.3±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 3.40
ACD/KOC (pH 5.5): 35.09
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 57.26
ACD/KOC (pH 7.4): 590.93
Polar Surface Area: 67 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 327.1±3.0 cm3

Click to predict properties on the Chemicalize site


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