ChemSpider 2D Image | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-({[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]oxy}methyl)-2-piperazinone | C19H17D9F3N3O3

(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-({[2-(2H3)methyl(2H6)-2-propanyl]oxy}methyl)-2-piperazinone

  • Molecular FormulaC19H17D9F3N3O3
  • Average mass410.479 Da
  • Monoisotopic mass410.249115 Da
  • ChemSpider ID107451200
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-({[2-(2H3)methyl(2H6)-2-propanyl]oxy}methyl)-2-piperazinone [ACD/IUPAC Name]
(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophényl)butanoyl]-3-({[2-(2H3)méthyl(2H6)-2-propanyl]oxy}méthyl)-2-pipérazinone [French] [ACD/IUPAC Name]
(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorphenyl)butanoyl]-3-({[2-(2H3)methyl(2H6)-2-propanyl]oxy}methyl)-2-piperazinon [German] [ACD/IUPAC Name]
2-Piperazinone, 4-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-3-[[[1,1-di(methyl-d3)ethyl-2,2,2-d3]oxy]methyl]-, (3R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.4±30.1 °C
Index of Refraction: 1.508
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.36
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.13
ACD/KOC (pH 7.4): 88.51
Polar Surface Area: 85 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 325.2±3.0 cm3

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