ChemSpider 2D Image | 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID | C43H48FN3O5

6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID

  • Molecular FormulaC43H48FN3O5
  • Average mass705.857 Da
  • Monoisotopic mass705.357788 Da
  • ChemSpider ID393517

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4R)-4-{[(2S)-1-Anilino-4-methyl-1-oxo-2-pentanyl]carbamoyl}-6-(4'-fluor-4-biphenylyl)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butyl]hexansäure [German] [ACD/IUPAC Name]
(2S,4R)-4-{[(2S)-1-Anilino-4-methyl-1-oxo-2-pentanyl]carbamoyl}-6-(4'-fluoro-4-biphenylyl)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butyl]hexanoic acid [ACD/IUPAC Name]
2H-Isoindole-2-hexanoic acid, α-[(2R)-4-(4'-fluoro[1,1'-biphenyl]-4-yl)-2-[[[(1S)-3-methyl-1-[(phenylamino)carbonyl]butyl]amino]carbonyl]butyl]-1,3-dihydro-1-oxo-, (αS)- [ACD/Index Name]
6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID
Acide (2S,4R)-4-{[(2S)-1-anilino-4-méthyl-1-oxo-2-pentanyl]carbamoyl}-6-(4'-fluoro-4-biphénylyl)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butyl]hexanoïque [French] [ACD/IUPAC Name]
L004
L04
L-764004

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

Density: 1.2±0.1 g/cm3
Boiling Point: 949.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 528.3±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 199.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 4107.52
ACD/KOC (pH 5.5): 6836.46
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 64.68
ACD/KOC (pH 7.4): 107.65
Polar Surface Area: 116 Å2
Polarizability: 79.1±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 584.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement