ChemSpider 2D Image | 2-{(3R)-4-Butyl-2,5-dioxo-3-[(3',4',5'-trimethoxy-4-biphenylyl)methyl]-1-piperazinyl}-N-[2-(4-chlorophenyl)ethyl]acetamide | C34H40ClN3O6

2-{(3R)-4-Butyl-2,5-dioxo-3-[(3',4',5'-trimethoxy-4-biphenylyl)methyl]-1-piperazinyl}-N-[2-(4-chlorophenyl)ethyl]acetamide

  • Molecular FormulaC34H40ClN3O6
  • Average mass622.151 Da
  • Monoisotopic mass621.260559 Da
  • ChemSpider ID8364809

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazineacetamide, 4-butyl-N-[2-(4-chlorophenyl)ethyl]-2,5-dioxo-3-[(3',4',5'-trimethoxy[1,1'-biphenyl]-4-yl)methyl]-, (3R)- [ACD/Index Name]
2-{(3R)-4-Butyl-2,5-dioxo-3-[(3',4',5'-trimethoxy-4-biphenylyl)methyl]-1-piperazinyl}-N-[2-(4-chlorophenyl)ethyl]acetamide [ACD/IUPAC Name]
2-{(3R)-4-Butyl-2,5-dioxo-3-[(3',4',5'-triméthoxy-4-biphénylyl)méthyl]-1-pipérazinyl}-N-[2-(4-chlorophényl)éthyl]acétamide [French] [ACD/IUPAC Name]
2-{(3R)-4-Butyl-2,5-dioxo-3-[(3',4',5'-trimethoxy-4-biphenylyl)methyl]-1-piperazinyl}-N-[2-(4-chlorphenyl)ethyl]acetamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 823.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.7±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 169.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2464.06
ACD/KOC (pH 5.5): 9318.36
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2464.06
ACD/KOC (pH 7.4): 9318.37
Polar Surface Area: 97 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 516.9±3.0 cm3

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