ChemSpider 2D Image | (2S,4R)-2-Butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(4'-fluoro-4-biphenylyl)hexanoic acid | C30H41FN2O4

(2S,4R)-2-Butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(4'-fluoro-4-biphenylyl)hexanoic acid

  • Molecular FormulaC30H41FN2O4
  • Average mass512.656 Da
  • Monoisotopic mass512.305054 Da
  • ChemSpider ID7982211

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4R)-2-Butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(4'-fluor-4-biphenylyl)hexansäure [German] [ACD/IUPAC Name]
(2S,4R)-2-Butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]carbamoyl}-6-(4'-fluoro-4-biphenylyl)hexanoic acid [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-hexanoic acid, α-butyl-γ-[[[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]amino]carbonyl]-4'-fluoro-, (αS,γR)- [ACD/Index Name]
Acide (2S,4R)-2-butyl-4-{[(2S)-3,3-diméthyl-1-(méthylamino)-1-oxo-2-butanyl]carbamoyl}-6-(4'-fluoro-4-biphénylyl)hexanoïque [French] [ACD/IUPAC Name]
(2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-6-(4'-fluoro-biphenyl-4-yl)-hexanoic acid
(2S,4R)-2-butyl-4-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl}-6-(4'-fluorobiphenyl-4-yl)hexanoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 743.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.3±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 143.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 947.40
ACD/KOC (pH 5.5): 2474.32
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 14.89
ACD/KOC (pH 7.4): 38.88
Polar Surface Area: 96 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 463.5±3.0 cm3

Click to predict properties on the Chemicalize site


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